#------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/29/2012991.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2012991
loop_
_publ_author_name
'Morris, David G.'
'Muir, Kenneth W.'
'Ryder, Karl S.'
_publ_section_title
;
 The low-temperature phase transition of 9-methylfluoren-9-ol:
 comparison of the crystal structures at 100 and 200K
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              o615
_journal_page_last               o618
_journal_paper_doi               10.1107/S0108270102015822
_journal_volume                  58
_journal_year                    2002
_chemical_formula_moiety         'C14 H12 O'
_chemical_formula_sum            'C14 H12 O'
_chemical_formula_weight         196.24
_chemical_name_systematic
;
9-methylfluoren-9-ol
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                89.1980(10)
_cell_angle_beta                 116.1620(10)
_cell_angle_gamma                107.1080(10)
_cell_formula_units_Z            4
_cell_length_a                   9.2540(2)
_cell_length_b                   11.4154(4)
_cell_length_c                   11.8476(4)
_cell_measurement_reflns_used    3212
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.0
_cell_volume                     1063.82(6)
_computing_cell_refinement       'HKL SCALEPACK (Otwinowski & Minor 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction
'HKL DENZO (Otwinowski & Minor 1997) and WinGX (Farrugia, 1999)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'PLATON (Spek, 1990, 1998) and WinGX'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD area-detector'
_diffrn_measurement_method       'ω scans, thick slices'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.051
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            10069
_diffrn_reflns_theta_full        27.4
_diffrn_reflns_theta_max         27.4
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.225
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             416
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.31
_refine_diff_density_min         -0.30
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     281
_refine_ls_number_reflns         4749
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_gt           0.049
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.06P)²+0.33P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.127
_reflns_number_gt                3507
_reflns_number_total             4749
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            jz1524.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               2012991
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
O1A 0.41573(14) 0.32575(10) 0.52814(10) 0.0222(3) Uani d . 1 . . O
H1A 0.426(3) 0.395(2) 0.572(2) 0.060(7) Uiso d . 1 . . H
C1A 0.4624(2) 0.23603(14) 0.61140(14) 0.0207(3) Uani d . 1 . . C
C2A 0.3671(2) 0.20828(13) 0.69137(14) 0.0190(3) Uani d . 1 . . C
C3A 0.1945(2) 0.16960(15) 0.65181(15) 0.0244(4) Uani d . 1 . . C
H3A 0.1166 0.1569 0.5641 0.029 Uiso calc R 1 . . H
C4A 0.1361(2) 0.14942(16) 0.74321(17) 0.0278(4) Uani d . 1 . . C
H4A 0.0175 0.1242 0.7175 0.033 Uiso calc R 1 . . H
C5A 0.2498(2) 0.16581(16) 0.87121(16) 0.0278(4) Uani d . 1 . . C
H5A 0.208 0.1505 0.9321 0.033 Uiso calc R 1 . . H
C6A 0.4237(2) 0.20425(14) 0.91136(15) 0.0234(4) Uani d . 1 . . C
H6A 0.5013 0.215 0.999 0.028 Uiso calc R 1 . . H
C7A 0.4823(2) 0.22680(14) 0.82070(15) 0.0201(3) Uani d . 1 . . C
C8A 0.6566(2) 0.27391(14) 0.83502(15) 0.0215(3) Uani d . 1 . . C
C9A 0.6466(2) 0.28172(14) 0.71369(15) 0.0222(3) Uani d . 1 . . C
C10A 0.7936(2) 0.32503(17) 0.69971(18) 0.0306(4) Uani d . 1 . . C
H10A 0.7877 0.3301 0.6178 0.037 Uiso calc R 1 . . H
C11A 0.9493(2) 0.36069(18) 0.80746(19) 0.0360(5) Uani d . 1 . . C
H11A 1.0508 0.391 0.7991 0.043 Uiso calc R 1 . . H
C12A 0.9589(2) 0.35280(17) 0.92713(19) 0.0343(4) Uani d . 1 . . C
H12A 1.0671 0.3777 0.9997 0.041 Uiso calc R 1 . . H
C13A 0.8126(2) 0.30887(15) 0.94268(17) 0.0279(4) Uani d . 1 . . C
H13A 0.8195 0.303 1.0249 0.034 Uiso calc R 1 . . H
C14A 0.4243(2) 0.12093(15) 0.52614(16) 0.0278(4) Uani d . 1 . . C
H14A 0.3036 0.0928 0.4643 0.042 Uiso calc R 1 . . H
H14B 0.4509 0.0554 0.578 0.042 Uiso calc R 1 . . H
H14C 0.4937 0.1406 0.4812 0.042 Uiso calc R 1 . . H
O1B 0.56222(14) 0.44686(10) 0.38456(10) 0.0226(3) Uani d . 1 . . O
H1B 0.517(3) 0.393(2) 0.428(2) 0.052(6) Uiso d . 1 . . H
C1B 0.54512(19) 0.38072(14) 0.27445(14) 0.0188(3) Uani d . 1 . . C
C2B 0.6999(2) 0.34112(14) 0.30187(14) 0.0192(3) Uani d . 1 . . C
C3B 0.8680(2) 0.41373(15) 0.35043(15) 0.0243(4) Uani d . 1 . . C
H3B 0.9007 0.5002 0.3741 0.029 Uiso calc R 1 . . H
C4B 0.9892(2) 0.35778(17) 0.36413(16) 0.0275(4) Uani d . 1 . . C
H4B 1.1057 0.4063 0.3983 0.033 Uiso calc R 1 . . H
C5B 0.9400(2) 0.23113(17) 0.32794(15) 0.0271(4) Uani d . 1 . . C
H5B 1.0237 0.1943 0.3373 0.032 Uiso calc R 1 . . H
C6B 0.7712(2) 0.15769(15) 0.27851(15) 0.0230(3) Uani d . 1 . . C
H6B 0.7383 0.0714 0.2534 0.028 Uiso calc R 1 . . H
C7B 0.65092(19) 0.21358(14) 0.26663(14) 0.0188(3) Uani d . 1 . . C
C8B 0.46619(19) 0.16093(14) 0.22242(14) 0.0186(3) Uani d . 1 . . C
C9B 0.40367(19) 0.25655(14) 0.23037(14) 0.0186(3) Uani d . 1 . . C
C10B 0.2342(2) 0.23169(15) 0.20002(14) 0.0219(3) Uani d . 1 . . C
H10B 0.1919 0.2965 0.206 0.026 Uiso calc R 1 . . H
C11B 0.1268(2) 0.10947(16) 0.16042(15) 0.0243(4) Uani d . 1 . . C
H11B 0.0102 0.0908 0.1397 0.029 Uiso calc R 1 . . H
C12B 0.1883(2) 0.01463(15) 0.15092(15) 0.0243(4) Uani d . 1 . . C
H12B 0.1131 -0.068 0.1232 0.029 Uiso calc R 1 . . H
C13B 0.3587(2) 0.03931(14) 0.18158(14) 0.0214(3) Uani d . 1 . . C
H13B 0.4007 -0.0255 0.1748 0.026 Uiso calc R 1 . . H
C14B 0.5166(2) 0.46634(14) 0.17200(15) 0.0229(3) Uani d . 1 . . C
H14D 0.4124 0.4858 0.1523 0.034 Uiso calc R 1 . . H
H14E 0.5058 0.4252 0.0953 0.034 Uiso calc R 1 . . H
H14F 0.6134 0.543 0.2027 0.034 Uiso calc R 1 . . H
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1B O1A O1B . 2_666 86.28(4) n
O1B O1A C1A . . 129.38(9) n
O1B O1A C1A 2_666 . 122.15(8) n
O1A O1B O1A . 2_666 93.72(5) n
O1A O1B C1B 2_666 . 140.87(9) n
O1A O1B C1B . . 120.13(9) n
C1A O1A H1A . . 110.9(15) ?
O1A C1A C9A . . 113.21(12) ?
O1A C1A C14A . . 105.90(12) ?
C9A C1A C14A . . 112.28(13) ?
O1A C1A C2A . . 112.42(12) ?
C9A C1A C2A . . 101.52(12) ?
C14A C1A C2A . . 111.70(13) ?
C3A C2A C7A . . 120.75(14) ?
C3A C2A C1A . . 128.88(14) ?
C7A C2A C1A . . 110.37(14) ?
C2A C3A C4A . . 118.71(15) ?
C2A C3A H3A . . 120.6 ?
C4A C3A H3A . . 120.6 ?
C5A C4A C3A . . 120.62(16) ?
C5A C4A H4A . . 119.7 ?
C3A C4A H4A . . 119.7 ?
C6A C5A C4A . . 120.82(15) ?
C6A C5A H5A . . 119.6 ?
C4A C5A H5A . . 119.6 ?
C5A C6A C7A . . 118.65(15) ?
C5A C6A H6A . . 120.7 ?
C7A C6A H6A . . 120.7 ?
C6A C7A C2A . . 120.42(15) ?
C6A C7A C8A . . 130.74(15) ?
C2A C7A C8A . . 108.81(13) ?
C13A C8A C9A . . 120.87(15) ?
C13A C8A C7A . . 130.91(15) ?
C9A C8A C7A . . 108.21(14) ?
C10A C9A C8A . . 120.23(16) ?
C10A C9A C1A . . 128.83(15) ?
C8A C9A C1A . . 110.93(14) ?
C11A C10A C9A . . 118.77(17) ?
C11A C10A H10A . . 120.6 ?
C9A C10A H10A . . 120.6 ?
C12A C11A C10A . . 120.93(17) ?
C12A C11A H11A . . 119.5 ?
C10A C11A H11A . . 119.5 ?
C11A C12A C13A . . 120.99(17) ?
C11A C12A H12A . . 119.5 ?
C13A C12A H12A . . 119.5 ?
C8A C13A C12A . . 118.21(16) ?
C8A C13A H13A . . 120.9 ?
C12A C13A H13A . . 120.9 ?
C1A C14A H14A . . 109.5 ?
C1A C14A H14B . . 109.5 ?
H14A C14A H14B . . 109.5 ?
C1A C14A H14C . . 109.5 ?
H14A C14A H14C . . 109.5 ?
H14B C14A H14C . . 109.5 ?
C1B O1B H1B . . 110.2(14) ?
O1B C1B C9B . . 112.63(12) ?
O1B C1B C2B . . 112.47(12) ?
C9B C1B C2B . . 101.57(12) ?
O1B C1B C14B . . 106.72(12) ?
C9B C1B C14B . . 112.32(12) ?
C2B C1B C14B . . 111.24(12) ?
C3B C2B C7B . . 120.82(15) ?
C3B C2B C1B . . 128.56(14) ?
C7B C2B C1B . . 110.59(13) ?
C2B C3B C4B . . 118.82(16) ?
C2B C3B H3B . . 120.6 ?
C4B C3B H3B . . 120.6 ?
C5B C4B C3B . . 120.24(16) ?
C5B C4B H4B . . 119.9 ?
C3B C4B H4B . . 119.9 ?
C6B C5B C4B . . 121.25(16) ?
C6B C5B H5B . . 119.4 ?
C4B C5B H5B . . 119.4 ?
C5B C6B C7B . . 118.33(15) ?
C5B C6B H6B . . 120.8 ?
C7B C6B H6B . . 120.8 ?
C6B C7B C2B . . 120.53(15) ?
C6B C7B C8B . . 131.09(14) ?
C2B C7B C8B . . 108.38(13) ?
C13B C8B C9B . . 120.71(14) ?
C13B C8B C7B . . 130.62(14) ?
C9B C8B C7B . . 108.63(13) ?
C10B C9B C8B . . 120.65(14) ?
C10B C9B C1B . . 128.79(14) ?
C8B C9B C1B . . 110.56(13) ?
C9B C10B C11B . . 118.62(15) ?
C9B C10B H10B . . 120.7 ?
C11B C10B H10B . . 120.7 ?
C12B C11B C10B . . 120.78(15) ?
C12B C11B H11B . . 119.6 ?
C10B C11B H11B . . 119.6 ?
C11B C12B C13B . . 120.74(15) ?
C11B C12B H12B . . 119.6 ?
C13B C12B H12B . . 119.6 ?
C8B C13B C12B . . 118.50(15) ?
C8B C13B H13B . . 120.8 ?
C12B C13B H13B . . 120.8 ?
C1B C14B H14D . . 109.5 ?
C1B C14B H14E . . 109.5 ?
H14D C14B H14E . . 109.5 ?
C1B C14B H14F . . 109.5 ?
H14D C14B H14F . . 109.5 ?
H14E C14B H14F . . 109.5 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
O1A C1A . 1.4369(18) ?
O1A H1A . 0.92(3) ?
C1A C9A . 1.523(2) ?
C1A C14A . 1.524(2) ?
C1A C2A . 1.529(2) ?
C2A C3A . 1.377(2) ?
C2A C7A . 1.402(2) ?
C3A C4A . 1.398(2) ?
C3A H3A . 0.95 ?
C4A C5A . 1.388(2) ?
C4A H4A . 0.95 ?
C5A C6A . 1.387(2) ?
C5A H5A . 0.95 ?
C6A C7A . 1.392(2) ?
C6A H6A . 0.95 ?
C7A C8A . 1.474(2) ?
C8A C13A . 1.387(2) ?
C8A C9A . 1.402(2) ?
C9A C10A . 1.387(2) ?
C10A C11A . 1.385(3) ?
C10A H10A . 0.95 ?
C11A C12A . 1.384(3) ?
C11A H11A . 0.95 ?
C12A C13A . 1.391(3) ?
C12A H12A . 0.95 ?
C13A H13A . 0.95 ?
C14A H14A . 0.98 ?
C14A H14B . 0.98 ?
C14A H14C . 0.98 ?
O1B C1B . 1.4395(17) ?
O1B H1B . 0.92(2) ?
C1B C9B . 1.524(2) ?
C1B C2B . 1.526(2) ?
C1B C14B . 1.528(2) ?
C2B C3B . 1.380(2) ?
C2B C7B . 1.400(2) ?
C3B C4B . 1.397(2) ?
C3B H3B . 0.95 ?
C4B C5B . 1.393(2) ?
C4B H4B . 0.95 ?
C5B C6B . 1.387(2) ?
C5B H5B . 0.95 ?
C6B C7B . 1.394(2) ?
C6B H6B . 0.95 ?
C7B C8B . 1.474(2) ?
C8B C13B . 1.390(2) ?
C8B C9B . 1.399(2) ?
C9B C10B . 1.383(2) ?
C10B C11B . 1.395(2) ?
C10B H10B . 0.95 ?
C11B C12B . 1.390(2) ?
C11B H11B . 0.95 ?
C12B C13B . 1.391(2) ?
C12B H12B . 0.95 ?
C13B H13B . 0.95 ?
C14B H14D . 0.98 ?
C14B H14E . 0.98 ?
C14B H14F . 0.98 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O1A H1A O1B 2_666 0.92(3) 1.84(3) 2.725(2) 163(2)
O1B H1B O1A . 0.92(2) 1.85(2) 2.740(2) 163(2)
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C1A O1A O1B C1B . . . . 71.0(2) n
C1A O1A O1B O1A . . . 2_666 -129.50(10) n
C1A O1A O1B O1A . . 2_666 2_666 135.30(10) n
O1B O1A C1A C14A . . . . -67.9(2) ?
O1B O1A C1A C14A 2_666 . . . 177.50(10) n
C9A C1A C2A C7A . . . . -4.0(2) n
C1A C2A C7A C8A . . . . 3.3(2) n
C6A C7A C8A C13A . . . . 0.3(3) ?
C2A C7A C8A C9A . . . . -1.1(2) n
C7A C8A C9A C1A . . . . -1.6(2) n
C2A C1A C9A C8A . . . . 3.4(2) n
O1A C1A C2A C3A . . . . 55.1(2) ?
C9A C1A C2A C3A . . . . 176.4(2) ?
C14A C1A C2A C3A . . . . -63.7(2) ?
O1A C1A C2A C7A . . . . -125.30(10) ?
C14A C1A C2A C7A . . . . 115.9(2) ?
C7A C2A C3A C4A . . . . 0.2(2) ?
C1A C2A C3A C4A . . . . 179.7(2) ?
C2A C3A C4A C5A . . . . -1.2(3) ?
C3A C4A C5A C6A . . . . 0.9(3) ?
C4A C5A C6A C7A . . . . 0.4(2) ?
C5A C6A C7A C2A . . . . -1.4(2) ?
C5A C6A C7A C8A . . . . 176.39(15) ?
C3A C2A C7A C6A . . . . 1.1(2) ?
C1A C2A C7A C6A . . . . -178.51(13) ?
C3A C2A C7A C8A . . . . -177.08(14) ?
C2A C7A C8A C13A . . . . 178.28(16) ?
C6A C7A C8A C9A . . . . -179.01(15) ?
C13A C8A C9A C10A . . . . -0.1(2) ?
C7A C8A C9A C10A . . . . 179.29(14) ?
C13A C8A C9A C1A . . . . 178.97(14) ?
O1A C1A C9A C10A . . . . -56.9(2) ?
C14A C1A C9A C10A . . . . 62.9(2) ?
C2A C1A C9A C10A . . . . -177.65(16) ?
O1A C1A C9A C8A . . . . 124.06(14) ?
C14A C1A C9A C8A . . . . -116.08(15) ?
C8A C9A C10A C11A . . . . -0.3(2) ?
C1A C9A C10A C11A . . . . -179.24(16) ?
C9A C10A C11A C12A . . . . 0.4(3) ?
C10A C11A C12A C13A . . . . 0.0(3) ?
C9A C8A C13A C12A . . . . 0.5(2) ?
C7A C8A C13A C12A . . . . -178.78(16) ?
C11A C12A C13A C8A . . . . -0.4(3) ?
C1A O1A O1B C1B 2_666 2_666 . . 16.0(2) n
O1B O1A O1B C1B 2_666 . . . -159.50(10) n
O1B O1A O1B C1B 2_666 2_666 . . 151.30(10) n
O1A O1B C1B C14B . . . . 139.90(10) n
O1A O1B C1B C14B 2_666 . . . -6.4(2) ?
C9B C1B C2B C7B . . . . 5.1(2) n
C1B C2B C7B C8B . . . . -3.5(2) n
C2B C7B C8B C9B . . . . 0.3(2) n
C7B C8B C9B C1B . . . . 3.1(2) n
C2B C1B C9B C8B . . . . -4.9(2) n
O1B C1B C9B C8B . . . . -125.40(14) ?
O1B C1B C2B C3B . . . . -56.2(2) ?
C9B C1B C2B C3B . . . . -176.89(15) ?
C14B C1B C2B C3B . . . . 63.4(2) ?
O1B C1B C2B C7B . . . . 125.70(13) ?
C14B C1B C2B C7B . . . . -114.65(14) ?
C7B C2B C3B C4B . . . . -0.1(2) ?
C1B C2B C3B C4B . . . . -177.98(15) ?
C2B C3B C4B C5B . . . . 0.7(2) ?
C3B C4B C5B C6B . . . . -0.4(2) ?
C4B C5B C6B C7B . . . . -0.5(2) ?
C5B C6B C7B C2B . . . . 1.1(2) ?
C5B C6B C7B C8B . . . . -177.70(15) ?
C3B C2B C7B C6B . . . . -0.8(2) ?
C1B C2B C7B C6B . . . . 177.43(13) ?
C3B C2B C7B C8B . . . . 178.24(14) ?
C6B C7B C8B C13B . . . . 1.2(3) ?
C2B C7B C8B C13B . . . . -177.69(15) ?
C6B C7B C8B C9B . . . . 179.19(15) ?
C13B C8B C9B C10B . . . . 1.2(2) ?
C7B C8B C9B C10B . . . . -176.99(13) ?
C13B C8B C9B C1B . . . . -178.71(13) ?
O1B C1B C9B C10B . . . . 54.7(2) ?
C2B C1B C9B C10B . . . . 175.21(15) ?
C14B C1B C9B C10B . . . . -65.9(2) ?
C14B C1B C9B C8B . . . . 114.06(14) ?
C8B C9B C10B C11B . . . . -0.5(2) ?
C1B C9B C10B C11B . . . . 179.43(14) ?
C9B C10B C11B C12B . . . . -0.4(2) ?
C10B C11B C12B C13B . . . . 0.5(2) ?
C9B C8B C13B C12B . . . . -1.1(2) ?
C7B C8B C13B C12B . . . . 176.68(14) ?
C11B C12B C13B C8B . . . . 0.3(2) ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 86605
