#------------------------------------------------------------------------------
#$Date: 2022-09-14 21:32:59 +0300 (Wed, 14 Sep 2022) $
#$Revision: 277840 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/02/21/4022147.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4022147
loop_
_publ_author_name
'Sergiy V. Rosokha'
'Jay K. Kochi'
_publ_section_title
;
 The Question of Aromaticity in Open-Shell Cations and Anions as
 Ion-Radical Offsprings of Polycyclic Aromatic and Antiaromatic Hydrocarbons
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              9357
_journal_page_last               9365
_journal_paper_doi               10.1021/jo061695a
_journal_volume                  71
_journal_year                    2006
_chemical_formula_moiety         'C20 H40 K O8, C14 H16 '
_chemical_formula_sum            'C34 H56 K O8'
_chemical_formula_weight         631.89
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                61.431(3)
_cell_angle_beta                 73.013(3)
_cell_angle_gamma                87.878(3)
_cell_formula_units_Z            2
_cell_length_a                   12.463(2)
_cell_length_b                   12.800(2)
_cell_length_c                   13.228(3)
_cell_measurement_reflns_used    3427
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      24.40
_cell_measurement_theta_min      2.28
_cell_volume                     1759.2(6)
_computing_cell_refinement       'SAINT (Bruker, 2003)'
_computing_data_collection       'SMART (Bruker, 2003)'
_computing_data_reduction        'SAINT & SADABS (Bruker, 2003)'
_computing_molecular_graphics    'XP (Bruker, 1999)'
_computing_publication_material  'SHELXL, XCIF (Bruker, 1999)'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2003)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device       'Bruker SMART'
_diffrn_measurement_method       'omega-scan, full sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1149
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10245
_diffrn_reflns_theta_full        29.50
_diffrn_reflns_theta_max         30.30
_diffrn_reflns_theta_min         1.72
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.197
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.193
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             686
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.429
_refine_diff_density_min         -0.372
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.836
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     395
_refine_ls_number_reflns         10245
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.836
_refine_ls_R_factor_all          0.1488
_refine_ls_R_factor_gt           0.0585
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0615P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1166
_refine_ls_wR_factor_ref         0.1412
_reflns_number_gt                4426
_reflns_number_total             10245
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo061695asi20060815_023019.cif
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_Hall     '-P 1   '
_cod_database_code               4022147
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
K1 K 0.0000 0.5000 0.0000 0.03393(18) Uani 1 2 d S
O5 O -0.03846(14) 0.26133(13) 0.06536(14) 0.0422(4) Uani 1 1 d .
O6 O -0.21084(13) 0.40755(14) 0.01890(14) 0.0420(4) Uani 1 1 d .
O4 O 0.14780(14) 0.33787(14) 0.09780(14) 0.0426(4) Uani 1 1 d .
O8 O -0.07917(17) 0.46490(17) 0.22705(16) 0.0634(6) Uani 1 1 d .
C23 C 0.0191(2) 0.1793(2) 0.1420(2) 0.0482(7) Uani 1 1 d .
H23A H 0.0122 0.1013 0.1445 0.058 Uiso 1 1 calc R
H23B H -0.0143 0.1665 0.2254 0.058 Uiso 1 1 calc R
C24 C -0.1499(2) 0.2146(2) 0.0909(2) 0.0497(7) Uani 1 1 d .
H24A H -0.1957 0.1959 0.1738 0.060 Uiso 1 1 calc R
H24B H -0.1491 0.1398 0.0860 0.060 Uiso 1 1 calc R
C25 C -0.1999(2) 0.3053(2) 0.0011(2) 0.0493(7) Uani 1 1 d .
H25A H -0.1507 0.3291 -0.0822 0.059 Uiso 1 1 calc R
H25B H -0.2751 0.2711 0.0119 0.059 Uiso 1 1 calc R
C22 C 0.1392(2) 0.2289(2) 0.0943(2) 0.0487(7) Uani 1 1 d .
H22A H 0.1821 0.1706 0.1438 0.058 Uiso 1 1 calc R
H22B H 0.1717 0.2445 0.0098 0.058 Uiso 1 1 calc R
C21 C 0.2597(2) 0.3951(2) 0.0468(3) 0.0519(7) Uani 1 1 d .
H21A H 0.2880 0.4186 -0.0403 0.062 Uiso 1 1 calc R
H21B H 0.3094 0.3397 0.0881 0.062 Uiso 1 1 calc R
C26 C -0.2613(2) 0.4962(2) -0.0613(3) 0.0530(7) Uani 1 1 d .
H26A H -0.3402 0.4654 -0.0431 0.064 Uiso 1 1 calc R
H26B H -0.2192 0.5170 -0.1458 0.064 Uiso 1 1 calc R
C31 C -0.1095(2) 0.5633(2) 0.2488(2) 0.0513(7) Uani 1 1 d .
H31A H -0.1927 0.5605 0.2776 0.062 Uiso 1 1 calc R
H31B H -0.0780 0.6409 0.1740 0.062 Uiso 1 1 calc R
C32 C -0.0591(2) 0.5472(2) 0.3440(2) 0.0485(7) Uani 1 1 d .
H32A H -0.0992 0.5871 0.3899 0.058 Uiso 1 1 calc R
H32B H 0.0221 0.5788 0.3084 0.058 Uiso 1 1 calc R
C33 C -0.0759(2) 0.4139(2) 0.4226(2) 0.0574(7) Uani 1 1 d .
H33A H -0.1527 0.3858 0.4823 0.069 Uiso 1 1 calc R
H33B H -0.0192 0.3869 0.4661 0.069 Uiso 1 1 calc R
C34 C -0.0600(3) 0.3701(2) 0.3323(2) 0.0595(8) Uani 1 1 d .
H34A H 0.0176 0.3490 0.3119 0.071 Uiso 1 1 calc R
H34B H -0.1143 0.2981 0.3664 0.071 Uiso 1 1 calc R
K2 K 0.5000 0.0000 0.5000 0.03716(19) Uani 1 2 d S
O2 O 0.55158(14) 0.20482(13) 0.27022(14) 0.0427(4) Uani 1 1 d .
O1 O 0.55849(14) 0.21741(14) 0.47432(15) 0.0450(4) Uani 1 1 d .
O3 O 0.44982(13) -0.01187(14) 0.31001(14) 0.0433(4) Uani 1 1 d .
C15 C 0.6081(2) 0.2193(2) 0.5572(2) 0.0447(6) Uani 1 1 d .
H15A H 0.6085 0.2996 0.5506 0.054 Uiso 1 1 calc R
H15B H 0.6872 0.2014 0.5386 0.054 Uiso 1 1 calc R
C20 C 0.4588(2) -0.1278(2) 0.3187(2) 0.0460(6) Uani 1 1 d .
H20A H 0.5390 -0.1428 0.3021 0.055 Uiso 1 1 calc R
H20B H 0.4296 -0.1318 0.2584 0.055 Uiso 1 1 calc R
C16 C 0.6058(2) 0.3125(2) 0.3547(2) 0.0521(7) Uani 1 1 d .
H16A H 0.6852 0.3027 0.3211 0.063 Uiso 1 1 calc R
H16B H 0.6049 0.3899 0.3546 0.063 Uiso 1 1 calc R
O7 O 0.72305(17) -0.0380(2) 0.4595(2) 0.0820(7) Uani 1 1 d .
C17 C 0.5384(2) 0.3116(2) 0.2796(2) 0.0546(7) Uani 1 1 d .
H17A H 0.4577 0.3138 0.3173 0.066 Uiso 1 1 calc R
H17B H 0.5647 0.3829 0.1979 0.066 Uiso 1 1 calc R
C18 C 0.4919(2) 0.1978(2) 0.1970(2) 0.0485(7) Uani 1 1 d .
H18A H 0.5204 0.2665 0.1137 0.058 Uiso 1 1 calc R
H18B H 0.4105 0.2008 0.2305 0.058 Uiso 1 1 calc R
C19 C 0.5086(2) 0.0827(2) 0.1942(2) 0.0475(6) Uani 1 1 d .
H19A H 0.4792 0.0824 0.1325 0.057 Uiso 1 1 calc R
H19B H 0.5901 0.0734 0.1733 0.057 Uiso 1 1 calc R
C27 C 0.7965(2) -0.0172(3) 0.5116(3) 0.0680(9) Uani 1 1 d .
H27A H 0.7537 -0.0112 0.5842 0.082 Uiso 1 1 calc R
H27B H 0.8480 0.0579 0.4530 0.082 Uiso 1 1 calc R
C30 C 0.7701(3) -0.1131(3) 0.4103(3) 0.0728(9) Uani 1 1 d .
H30A H 0.7926 -0.0681 0.3207 0.087 Uiso 1 1 calc R
H30B H 0.7144 -0.1827 0.4401 0.087 Uiso 1 1 calc R
C29 C 0.8705(3) -0.1536(3) 0.4513(3) 0.0926(12) Uani 1 1 d .
H29A H 0.8704 -0.2411 0.4834 0.111 Uiso 1 1 calc R
H29B H 0.9411 -0.1123 0.3833 0.111 Uiso 1 1 calc R
C28 C 0.8619(3) -0.1232(3) 0.5457(4) 0.0925(12) Uani 1 1 d .
H28A H 0.9376 -0.1016 0.5453 0.111 Uiso 1 1 calc R
H28B H 0.8208 -0.1903 0.6267 0.111 Uiso 1 1 calc R
C8 C 0.9645(2) 0.95099(19) 0.0559(2) 0.0342(5) Uani 1 1 d .
C9 C 1.0142(2) 0.88253(19) 0.1465(2) 0.0377(6) Uani 1 1 d .
H9 H 0.9687 0.8169 0.2198 0.045 Uiso 1 1 calc R
C11 C 1.1959(2) 0.9994(2) 0.0267(2) 0.0384(6) Uani 1 1 d .
C10 C 1.1266(2) 0.9060(2) 0.1342(2) 0.0382(6) Uani 1 1 d .
C12 C 1.1500(2) 1.0690(2) -0.0668(2) 0.0370(6) Uani 1 1 d .
H12 H 1.1979 1.1321 -0.1404 0.044 Uiso 1 1 calc R
C14 C 1.3176(2) 1.0305(2) 0.0095(2) 0.0516(7) Uani 1 1 d .
H14A H 1.3211 1.0598 0.0648 0.077 Uiso 1 1 calc R
H14B H 1.3540 1.0930 -0.0744 0.077 Uiso 1 1 calc R
H14C H 1.3567 0.9590 0.0268 0.077 Uiso 1 1 calc R
C13 C 1.1712(2) 0.8315(2) 0.2390(2) 0.0550(7) Uani 1 1 d .
H13A H 1.2384 0.7980 0.2115 0.083 Uiso 1 1 calc R
H13B H 1.1129 0.7661 0.3041 0.083 Uiso 1 1 calc R
H13C H 1.1913 0.8821 0.2692 0.083 Uiso 1 1 calc R
C5 C 0.63569(19) 0.5538(2) 0.5007(2) 0.0372(6) Uani 1 1 d .
H5 H 0.7011 0.6091 0.4448 0.045 Uiso 1 1 calc R
C2 C 0.4462(2) 0.39494(19) 0.6660(2) 0.0349(5) Uani 1 1 d .
H2 H 0.3807 0.3408 0.7239 0.042 Uiso 1 1 calc R
C1 C 0.45056(18) 0.45838(19) 0.5433(2) 0.0321(5) Uani 1 1 d .
C4 C 0.6293(2) 0.4883(2) 0.6226(2) 0.0383(6) Uani 1 1 d .
C3 C 0.5343(2) 0.4083(2) 0.7061(2) 0.0376(6) Uani 1 1 d .
C6 C 0.5223(2) 0.3382(2) 0.8392(2) 0.0496(7) Uani 1 1 d .
H6A H 0.5837 0.2880 0.8509 0.074 Uiso 1 1 calc R
H6B H 0.4495 0.2872 0.8835 0.074 Uiso 1 1 calc R
H6C H 0.5259 0.3938 0.8698 0.074 Uiso 1 1 calc R
C7 C 0.7264(2) 0.5081(3) 0.6606(2) 0.0535(7) Uani 1 1 d .
H7A H 0.7079 0.5627 0.6939 0.080 Uiso 1 1 calc R
H7B H 0.7947 0.5431 0.5901 0.080 Uiso 1 1 calc R
H7C H 0.7395 0.4312 0.7224 0.080 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
K K 0.2009 0.2494 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O8 K1 O8 180.00(9) 2_565 .
O8 K1 O5 84.73(5) 2_565 .
O8 K1 O5 95.27(5) . .
O8 K1 O5 95.27(5) 2_565 2_565
O8 K1 O5 84.73(5) . 2_565
O5 K1 O5 180.000(19) . 2_565
O8 K1 O4 97.84(5) 2_565 .
O8 K1 O4 82.16(5) . .
O5 K1 O4 59.58(5) . .
O5 K1 O4 120.42(5) 2_565 .
O8 K1 O4 82.16(5) 2_565 2_565
O8 K1 O4 97.84(5) . 2_565
O5 K1 O4 120.42(5) . 2_565
O5 K1 O4 59.58(5) 2_565 2_565
O4 K1 O4 180.00(7) . 2_565
O8 K1 O6 91.28(5) 2_565 2_565
O8 K1 O6 88.72(5) . 2_565
O5 K1 O6 119.67(5) . 2_565
O5 K1 O6 60.33(5) 2_565 2_565
O4 K1 O6 61.51(5) . 2_565
O4 K1 O6 118.49(5) 2_565 2_565
O8 K1 O6 88.72(5) 2_565 .
O8 K1 O6 91.28(5) . .
O5 K1 O6 60.33(5) . .
O5 K1 O6 119.67(5) 2_565 .
O4 K1 O6 118.49(5) . .
O4 K1 O6 61.51(5) 2_565 .
O6 K1 O6 180.00(7) 2_565 .
C24 O5 C23 113.30(18) . .
C24 O5 K1 117.65(13) . .
C23 O5 K1 117.43(13) . .
C26 O6 C25 111.68(19) . .
C26 O6 K1 111.64(14) . .
C25 O6 K1 110.66(13) . .
C21 O4 C22 112.78(19) . .
C21 O4 K1 110.73(13) . .
C22 O4 K1 114.55(13) . .
C34 O8 C31 108.64(19) . .
C34 O8 K1 126.98(15) . .
C31 O8 K1 120.63(15) . .
O5 C23 C22 108.5(2) . .
O5 C23 H23A 110.0 . .
C22 C23 H23A 110.0 . .
O5 C23 H23B 110.0 . .
C22 C23 H23B 110.0 . .
H23A C23 H23B 108.4 . .
O5 C24 C25 108.7(2) . .
O5 C24 H24A 109.9 . .
C25 C24 H24A 109.9 . .
O5 C24 H24B 109.9 . .
C25 C24 H24B 109.9 . .
H24A C24 H24B 108.3 . .
O6 C25 C24 108.6(2) . .
O6 C25 H25A 110.0 . .
C24 C25 H25A 110.0 . .
O6 C25 H25B 110.0 . .
C24 C25 H25B 110.0 . .
H25A C25 H25B 108.4 . .
O4 C22 C23 109.12(19) . .
O4 C22 H22A 109.9 . .
C23 C22 H22A 109.9 . .
O4 C22 H22B 109.9 . .
C23 C22 H22B 109.9 . .
H22A C22 H22B 108.3 . .
O4 C21 C26 108.9(2) . 2_565
O4 C21 H21A 109.9 . .
C26 C21 H21A 109.9 2_565 .
O4 C21 H21B 109.9 . .
C26 C21 H21B 109.9 2_565 .
H21A C21 H21B 108.3 . .
O6 C26 C21 109.0(2) . 2_565
O6 C26 H26A 109.9 . .
C21 C26 H26A 109.9 2_565 .
O6 C26 H26B 109.9 . .
C21 C26 H26B 109.9 2_565 .
H26A C26 H26B 108.3 . .
O8 C31 C32 104.6(2) . .
O8 C31 H31A 110.8 . .
C32 C31 H31A 110.8 . .
O8 C31 H31B 110.8 . .
C32 C31 H31B 110.8 . .
H31A C31 H31B 108.9 . .
C31 C32 C33 102.3(2) . .
C31 C32 H32A 111.3 . .
C33 C32 H32A 111.3 . .
C31 C32 H32B 111.3 . .
C33 C32 H32B 111.3 . .
H32A C32 H32B 109.2 . .
C32 C33 C34 102.7(2) . .
C32 C33 H33A 111.2 . .
C34 C33 H33A 111.2 . .
C32 C33 H33B 111.2 . .
C34 C33 H33B 111.2 . .
H33A C33 H33B 109.1 . .
O8 C34 C33 107.1(2) . .
O8 C34 H34A 110.3 . .
C33 C34 H34A 110.3 . .
O8 C34 H34B 110.3 . .
C33 C34 H34B 110.3 . .
H34A C34 H34B 108.5 . .
O1 K2 O1 180.00(7) 2_656 .
O1 K2 O7 90.78(6) 2_656 .
O1 K2 O7 89.22(6) . .
O1 K2 O7 89.22(6) 2_656 2_656
O1 K2 O7 90.78(6) . 2_656
O7 K2 O7 180.0 . 2_656
O1 K2 O2 60.79(5) 2_656 2_656
O1 K2 O2 119.21(5) . 2_656
O7 K2 O2 89.00(6) . 2_656
O7 K2 O2 91.00(6) 2_656 2_656
O1 K2 O2 119.21(5) 2_656 .
O1 K2 O2 60.79(5) . .
O7 K2 O2 91.00(6) . .
O7 K2 O2 89.00(6) 2_656 .
O2 K2 O2 180.0 2_656 .
O1 K2 O3 59.91(5) 2_656 .
O1 K2 O3 120.09(5) . .
O7 K2 O3 102.19(6) . .
O7 K2 O3 77.81(6) 2_656 .
O2 K2 O3 119.59(5) 2_656 .
O2 K2 O3 60.41(5) . .
O1 K2 O3 120.09(5) 2_656 2_656
O1 K2 O3 59.91(5) . 2_656
O7 K2 O3 77.81(6) . 2_656
O7 K2 O3 102.19(6) 2_656 2_656
O2 K2 O3 60.41(5) 2_656 2_656
O2 K2 O3 119.59(5) . 2_656
O3 K2 O3 180.0 . 2_656
C18 O2 C17 112.55(19) . .
C18 O2 K2 112.94(13) . .
C17 O2 K2 111.26(14) . .
C16 O1 C15 113.19(19) . .
C16 O1 K2 116.89(13) . .
C15 O1 K2 118.27(13) . .
C19 O3 C20 113.24(18) . .
C19 O3 K2 113.22(13) . .
C20 O3 K2 112.75(13) . .
O1 C15 C20 108.4(2) . 2_656
O1 C15 H15A 110.0 . .
C20 C15 H15A 110.0 2_656 .
O1 C15 H15B 110.0 . .
C20 C15 H15B 110.0 2_656 .
H15A C15 H15B 108.4 . .
O3 C20 C15 108.34(19) . 2_656
O3 C20 H20A 110.0 . .
C15 C20 H20A 110.0 2_656 .
O3 C20 H20B 110.0 . .
C15 C20 H20B 110.0 2_656 .
H20A C20 H20B 108.4 . .
O1 C16 C17 108.7(2) . .
O1 C16 H16A 109.9 . .
C17 C16 H16A 109.9 . .
O1 C16 H16B 109.9 . .
C17 C16 H16B 109.9 . .
H16A C16 H16B 108.3 . .
C27 O7 C30 109.1(2) . .
C27 O7 K2 125.88(17) . .
C30 O7 K2 122.80(18) . .
O2 C17 C16 108.6(2) . .
O2 C17 H17A 110.0 . .
C16 C17 H17A 110.0 . .
O2 C17 H17B 110.0 . .
C16 C17 H17B 110.0 . .
H17A C17 H17B 108.3 . .
O2 C18 C19 108.9(2) . .
O2 C18 H18A 109.9 . .
C19 C18 H18A 109.9 . .
O2 C18 H18B 109.9 . .
C19 C18 H18B 109.9 . .
H18A C18 H18B 108.3 . .
O3 C19 C18 107.9(2) . .
O3 C19 H19A 110.1 . .
C18 C19 H19A 110.1 . .
O3 C19 H19B 110.1 . .
C18 C19 H19B 110.1 . .
H19A C19 H19B 108.4 . .
O7 C27 C28 105.3(3) . .
O7 C27 H27A 110.7 . .
C28 C27 H27A 110.7 . .
O7 C27 H27B 110.7 . .
C28 C27 H27B 110.7 . .
H27A C27 H27B 108.8 . .
O7 C30 C29 106.2(3) . .
O7 C30 H30A 110.5 . .
C29 C30 H30A 110.5 . .
O7 C30 H30B 110.5 . .
C29 C30 H30B 110.5 . .
H30A C30 H30B 108.7 . .
C28 C29 C30 106.0(3) . .
C28 C29 H29A 110.5 . .
C30 C29 H29A 110.5 . .
C28 C29 H29B 110.5 . .
C30 C29 H29B 110.5 . .
H29A C29 H29B 108.7 . .
C29 C28 C27 102.7(3) . .
C29 C28 H28A 111.2 . .
C27 C28 H28A 111.2 . .
C29 C28 H28B 111.2 . .
C27 C28 H28B 111.2 . .
H28A C28 H28B 109.1 . .
C9 C8 C12 124.6(2) . 2_775
C9 C8 C8 117.6(3) . 2_775
C12 C8 C8 117.8(3) 2_775 2_775
C10 C9 C8 123.3(2) . .
C10 C9 H9 118.4 . .
C8 C9 H9 118.4 . .
C10 C11 C12 119.0(2) . .
C10 C11 C14 121.8(2) . .
C12 C11 C14 119.2(2) . .
C11 C10 C9 119.6(2) . .
C11 C10 C13 120.8(2) . .
C9 C10 C13 119.6(2) . .
C11 C12 C8 122.8(2) . 2_775
C11 C12 H12 118.6 . .
C8 C12 H12 118.6 2_775 .
C11 C14 H14A 109.5 . .
C11 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C11 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C10 C13 H13A 109.5 . .
C10 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C10 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C4 C5 C1 122.9(2) . 2_666
C4 C5 H5 118.5 . .
C1 C5 H5 118.5 2_666 .
C3 C2 C1 122.8(2) . .
C3 C2 H2 118.6 . .
C1 C2 H2 118.6 . .
C5 C1 C2 124.4(2) 2_666 .
C5 C1 C1 117.5(3) 2_666 2_666
C2 C1 C1 118.1(2) . 2_666
C3 C4 C5 119.8(2) . .
C3 C4 C7 121.4(2) . .
C5 C4 C7 118.8(2) . .
C4 C3 C2 118.9(2) . .
C4 C3 C6 121.6(2) . .
C2 C3 C6 119.5(2) . .
C3 C6 H6A 109.5 . .
C3 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C3 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C4 C7 H7A 109.5 . .
C4 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C4 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
K1 O8 2.6846(18) 2_565
K1 O8 2.6846(18) .
K1 O5 2.7659(16) .
K1 O5 2.7659(16) 2_565
K1 O4 2.8134(15) .
K1 O4 2.8134(15) 2_565
K1 O6 2.8163(16) 2_565
K1 O6 2.8163(16) .
O5 C24 1.413(3) .
O5 C23 1.413(3) .
O6 C26 1.412(3) .
O6 C25 1.432(3) .
O4 C21 1.411(3) .
O4 C22 1.426(3) .
O8 C34 1.423(3) .
O8 C31 1.435(3) .
C23 C22 1.476(3) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.486(3) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C21 C26 1.494(4) 2_565
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C26 C21 1.494(4) 2_565
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C31 C32 1.493(3) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C33 1.496(3) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.508(4) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
K2 O1 2.7372(16) 2_656
K2 O1 2.7372(16) .
K2 O7 2.744(2) .
K2 O7 2.744(2) 2_656
K2 O2 2.8084(16) 2_656
K2 O2 2.8084(16) .
K2 O3 2.8322(16) .
K2 O3 2.8322(16) 2_656
O2 C18 1.417(3) .
O2 C17 1.429(3) .
O1 C16 1.414(3) .
O1 C15 1.416(3) .
O3 C19 1.409(3) .
O3 C20 1.436(3) .
C15 C20 1.482(3) 2_656
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C20 C15 1.482(3) 2_656
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C16 C17 1.481(4) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
O7 C27 1.396(3) .
O7 C30 1.423(3) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 C19 1.496(4) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C27 C28 1.502(4) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C30 C29 1.486(4) .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C29 C28 1.452(5) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C8 C9 1.406(3) .
C8 C12 1.411(3) 2_775
C8 C8 1.445(4) 2_775
C9 C10 1.389(3) .
C9 H9 0.9500 .
C11 C10 1.389(3) .
C11 C12 1.404(3) .
C11 C14 1.506(3) .
C10 C13 1.513(3) .
C12 C8 1.411(3) 2_775
C12 H12 0.9500 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C5 C4 1.395(3) .
C5 C1 1.408(3) 2_666
C5 H5 0.9500 .
C2 C3 1.399(3) .
C2 C1 1.411(3) .
C2 H2 0.9500 .
C1 C5 1.408(3) 2_666
C1 C1 1.439(4) 2_666
C4 C3 1.384(3) .
C4 C7 1.511(3) .
C3 C6 1.507(3) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
