#------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/01/21/2012102.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_2012102
loop_
_publ_author_name
'Subbiah Pandi, A.'
'Velmurugan, D.'
'Shanmuga Sundara Raj, S.'
'Fun, Hoong-Kun'
'Seshadri, P. R.'
'Thirumalai, D.'
_publ_section_title
;10-(4-Fluorophenyl)-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
 and
 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-propyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              821
_journal_page_last               824
_journal_paper_doi               10.1107/S0108270101005662
_journal_volume                  57
_journal_year                    2001
_chemical_formula_moiety         'C26 H32 F N O2'
_chemical_formula_sum            'C26 H32 F N O2'
_chemical_formula_weight         409.53
_chemical_name_systematic
;
10-(4-fluorophenyl)-9-propyl-3,3,6,6-tetramethyl-3,4,6,7,9,10-
hexahydroacridine-1,8(2H,5H)-dione
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           SHELXL97
_cell_angle_alpha                90
_cell_angle_beta                 123.118(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   27.4540(10)
_cell_length_b                   12.2738(10)
_cell_length_c                   16.2792(10)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      18.0
_cell_measurement_theta_min      12.5
_cell_volume                     4594.4(7)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction        'SDP (Frenz, 1985)'
_computing_molecular_graphics    'ZORTEP (Zsolnai, 1997)'
_computing_publication_material  'SHELXL97 and PARST (Nardelli, 1983b, 1995)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .461
_diffrn_measured_fraction_theta_max .461
_diffrn_measurement_device_type  'Enraf-Nonius CAD-4'
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  .053
_diffrn_reflns_av_sigmaI/netI    .019
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            4454
_diffrn_reflns_theta_full        72.71
_diffrn_reflns_theta_max         72.71
_diffrn_reflns_theta_min         3.86
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 200
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    .633
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.184
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1760
_exptl_crystal_size_max          .20
_exptl_crystal_size_mid          .18
_exptl_crystal_size_min          .16
_refine_diff_density_max         .17
_refine_diff_density_min         -.17
_refine_ls_extinction_coef       .00046(13)
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         4374
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.103
_refine_ls_R_factor_all          .074
_refine_ls_R_factor_gt           .051
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0504P)²+0.0465P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .196
_reflns_number_gt                3087
_reflns_number_total             4374
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            na1517.cif
_cod_data_source_block           II
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 

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_original_cell_volume        4594.4(5)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2012102
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
F1 .00474(8) .66354(13) .14003(19) .1566(9) Uani d . 1 . . F
O1 .23797(7) .02710(13) .51580(11) .0882(5) Uani d . 1 . . O
O2 .25392(7) .03973(14) .23311(11) .0843(5) Uani d . 1 . . O
C1 .20570(8) .10666(16) .48565(14) .0621(5) Uani d . 1 . . C
C2 .19344(9) .16913(17) .55147(14) .0658(5) Uani d . 1 . . C
H2A .2241 .2223 .5880 .079 Uiso calc R 1 . . H
H2B .1942 .1193 .5984 .079 Uiso calc R 1 . . H
C3 .13527(9) .22761(16) .49688(14) .0627(5) Uani d . 1 . . C
C4 .13309(9) .29930(15) .41763(14) .0613(5) Uani d . 1 . . C
H4A .0939 .3273 .3750 .074 Uiso calc R 1 . . H
H4B .1589 .3610 .4490 .074 Uiso calc R 1 . . H
C5 .15461(9) .32023(15) .13792(14) .0628(5) Uani d . 1 . . C
H5A .1801 .3828 .1673 .075 Uiso calc R 1 . . H
H5B .1150 .3470 .0981 .075 Uiso calc R 1 . . H
C6 .16966(9) .26095(16) .07125(14) .0637(5) Uani d . 1 . . C
C7 .22652(9) .20004(19) .13549(15) .0705(5) Uani d . 1 . . C
H7A .2350 .1587 .0940 .085 Uiso calc R 1 . . H
H7B .2576 .2524 .1720 .085 Uiso calc R 1 . . H
C8 .22509(8) .12410(16) .20596(14) .0624(5) Uani d . 1 . . C
C9 .19083(8) .08003(14) .31875(14) .0598(5) Uani d . 1 . . C
H9 .2299 .0485 .3587 .072 Uiso calc R 1 . . H
N10 .13451(7) .28682(11) .26690(11) .0546(4) Uani d . 1 . . N
C11 .16033(7) .24963(14) .21787(12) .0533(4) Uani d . 1 . . C
C12 .19015(8) .15430(14) .24492(12) .0549(4) Uani d . 1 . . C
C13 .18043(8) .14522(14) .38568(13) .0549(4) Uani d . 1 . . C
C14 .15026(7) .23991(14) .35640(13) .0531(4) Uani d . 1 . . C
C15 .08592(10) .14393(19) .45133(18) .0790(6) Uani d . 1 . . C
H15A .0894 .0980 .4070 .118 Uiso calc R 1 . . H
H15B .0492 .1811 .4162 .118 Uiso calc R 1 . . H
H15C .0882 .1002 .5022 .118 Uiso calc R 1 . . H
C16 .12988(12) .3003(2) .56749(18) .0864(7) Uani d . 1 . . C
H16A .0929 .3366 .5327 .130 Uiso calc R 1 . . H
H16B .1605 .3536 .5953 .130 Uiso calc R 1 . . H
H16C .1329 .2566 .6190 .130 Uiso calc R 1 . . H
C17 .12170(10) .18051(19) .00377(15) .0780(6) Uani d . 1 . . C
H17A .1319 .1444 -.0371 .117 Uiso calc R 1 . . H
H17B .0858 .2191 -.0366 .117 Uiso calc R 1 . . H
H17C .1173 .1275 .0426 .117 Uiso calc R 1 . . H
C18 .17534(14) .3461(2) .00786(19) .0927(8) Uani d . 1 . . C
H18A .2052 .3974 .0495 .139 Uiso calc R 1 . . H
H18B .1390 .3837 -.0321 .139 Uiso calc R 1 . . H
H18C .1853 .3104 -.0335 .139 Uiso calc R 1 . . H
C19 .10109(8) .38656(14) .23467(13) .0546(4) Uani d . 1 . . C
C20 .04193(9) .38052(17) .16834(19) .0833(7) Uani d . 1 . . C
H20 .0240 .3132 .1451 .100 Uiso calc R 1 . . H
C21 .00942(10) .4745(2) .1365(3) .1083(10) Uani d . 1 . . C
H21 -.0306 .4718 .0917 .130 Uiso calc R 1 . . H
C22 .03712(11) .57131(18) .1719(2) .0931(8) Uani d . 1 . . C
C23 .09522(10) .57980(15) .23732(17) .0732(6) Uani d . 1 . . C
H23 .1127 .6476 .2600 .088 Uiso calc R 1 . . H
C24 .12802(8) .48571(14) .26964(14) .0600(5) Uani d . 1 . . C
H24 .1680 .4893 .3147 .072 Uiso calc R 1 . . H
C25 .14722(11) -.01493(16) .27060(18) .0757(6) Uani d . 1 . . C
H25A .1576 -.0578 .2323 .091 Uiso calc R 1 . . H
H25B .1512 -.0616 .3221 .091 Uiso calc R 1 . . H
C26 .08473(11) .01783(19) .2055(2) .0889(7) Uani d . 1 . . C
H26A .0797 .0587 .1503 .107 Uiso calc R 1 . . H
H26B .0749 .0657 .2418 .107 Uiso calc R 1 . . H
C27 .04316(16) -.0778(3) .1670(3) .1358(13) Uani d . 1 . . C
H27A .0040 -.0516 .1252 .204 Uiso calc R 1 . . H
H27B .0468 -.1171 .2210 .204 Uiso calc R 1 . . H
H27C .0522 -.1251 .1302 .204 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 .0181 .0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H .0000 .0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N .0311 .0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O .0492 .0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F .0727 .0534 '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_publ_flag
O1 C1 C13 120.36(18) ?
O1 C1 C2 121.10(17) ?
C13 C1 C2 118.48(16) ?
C1 C2 C3 113.51(16) ?
C1 C2 H2A 108.9 ?
C3 C2 H2A 108.9 ?
C1 C2 H2B 108.9 ?
C3 C2 H2B 108.9 ?
H2A C2 H2B 107.7 ?
C2 C3 C16 109.85(18) ?
C2 C3 C15 109.63(17) ?
C16 C3 C15 109.45(17) ?
C2 C3 C4 107.98(15) ?
C16 C3 C4 108.82(16) ?
C15 C3 C4 111.09(17) ?
C14 C4 C3 113.38(15) ?
C14 C4 H4A 108.9 ?
C3 C4 H4A 108.9 ?
C14 C4 H4B 108.9 ?
C3 C4 H4B 108.9 ?
H4A C4 H4B 107.7 ?
C11 C5 C6 113.45(15) ?
C11 C5 H5A 108.9 ?
C6 C5 H5A 108.9 ?
C11 C5 H5B 108.9 ?
C6 C5 H5B 108.9 ?
H5A C5 H5B 107.7 ?
C7 C6 C17 109.57(17) ?
C7 C6 C18 110.77(19) ?
C17 C6 C18 108.70(18) ?
C7 C6 C5 108.55(15) ?
C17 C6 C5 110.75(17) ?
C18 C6 C5 108.49(17) ?
C8 C7 C6 112.80(16) ?
C8 C7 H7A 109.0 ?
C6 C7 H7A 109.0 ?
C8 C7 H7B 109.0 ?
C6 C7 H7B 109.0 ?
H7A C7 H7B 107.8 ?
O2 C8 C12 120.33(18) ?
O2 C8 C7 121.29(18) ?
C12 C8 C7 118.34(17) ?
C13 C9 C12 109.51(14) ?
C13 C9 C25 111.65(16) ?
C12 C9 C25 112.68(16) ?
C13 C9 H9 107.6 ?
C12 C9 H9 107.6 ?
C25 C9 H9 107.6 ?
C14 N10 C11 119.65(14) yes
C14 N10 C19 120.07(14) yes
C11 N10 C19 119.14(14) yes
C12 C11 N10 119.94(16) ?
C12 C11 C5 122.63(17) ?
N10 C11 C5 117.41(15) ?
C11 C12 C8 120.14(16) ?
C11 C12 C9 121.70(16) ?
C8 C12 C9 118.09(15) ?
C14 C13 C1 119.95(17) ?
C14 C13 C9 121.65(16) ?
C1 C13 C9 118.35(15) ?
C13 C14 N10 120.16(16) ?
C13 C14 C4 122.39(16) ?
N10 C14 C4 117.45(14) ?
C3 C15 H15A 109.5 ?
C3 C15 H15B 109.5 ?
H15A C15 H15B 109.5 ?
C3 C15 H15C 109.5 ?
H15A C15 H15C 109.5 ?
H15B C15 H15C 109.5 ?
C3 C16 H16A 109.5 ?
C3 C16 H16B 109.5 ?
H16A C16 H16B 109.5 ?
C3 C16 H16C 109.5 ?
H16A C16 H16C 109.5 ?
H16B C16 H16C 109.5 ?
C6 C17 H17A 109.5 ?
C6 C17 H17B 109.5 ?
H17A C17 H17B 109.5 ?
C6 C17 H17C 109.5 ?
H17A C17 H17C 109.5 ?
H17B C17 H17C 109.5 ?
C6 C18 H18A 109.5 ?
C6 C18 H18B 109.5 ?
H18A C18 H18B 109.5 ?
C6 C18 H18C 109.5 ?
H18A C18 H18C 109.5 ?
H18B C18 H18C 109.5 ?
C24 C19 C20 120.62(17) ?
C24 C19 N10 120.53(16) ?
C20 C19 N10 118.84(16) ?
C21 C20 C19 119.7(2) ?
C21 C20 H20 120.1 ?
C19 C20 H20 120.1 ?
C22 C21 C20 118.4(2) ?
C22 C21 H21 120.8 ?
C20 C21 H21 120.8 ?
C23 C22 F1 118.8(2) ?
C23 C22 C21 123.2(2) ?
F1 C22 C21 118.1(2) ?
C22 C23 C24 118.61(19) ?
C22 C23 H23 120.7 ?
C24 C23 H23 120.7 ?
C19 C24 C23 119.44(18) ?
C19 C24 H24 120.3 ?
C23 C24 H24 120.3 ?
C26 C25 C9 115.32(17) ?
C26 C25 H25A 108.4 ?
C9 C25 H25A 108.4 ?
C26 C25 H25B 108.4 ?
C9 C25 H25B 108.4 ?
H25A C25 H25B 107.5 ?
C25 C26 C27 113.5(2) ?
C25 C26 H26A 108.9 ?
C27 C26 H26A 108.9 ?
C25 C26 H26B 108.9 ?
C27 C26 H26B 108.9 ?
H26A C26 H26B 107.7 ?
C26 C27 H27A 109.5 ?
C26 C27 H27B 109.5 ?
H27A C27 H27B 109.5 ?
C26 C27 H27C 109.5 ?
H27A C27 H27C 109.5 ?
H27B C27 H27C 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
F1 C22 . 1.355(2) yes
O1 C1 . 1.227(2) yes
O2 C8 . 1.230(2) yes
C1 C13 . 1.456(2) ?
C1 C2 . 1.498(3) ?
C2 C3 . 1.518(3) ?
C2 H2A . .9700 ?
C2 H2B . .9700 ?
C3 C16 . 1.525(3) ?
C3 C15 . 1.530(3) ?
C3 C4 . 1.536(2) ?
C4 C14 . 1.503(2) ?
C4 H4A . .9700 ?
C4 H4B . .9700 ?
C5 C11 . 1.499(2) ?
C5 C6 . 1.539(3) ?
C5 H5A . .9700 ?
C5 H5B . .9700 ?
C6 C7 . 1.519(3) ?
C6 C17 . 1.528(3) ?
C6 C18 . 1.536(3) ?
C7 C8 . 1.496(3) ?
C7 H7A . .9700 ?
C7 H7B . .9700 ?
C8 C12 . 1.457(3) ?
C9 C13 . 1.499(2) ?
C9 C12 . 1.501(2) ?
C9 C25 . 1.543(3) ?
C9 H9 . .9800 ?
N10 C14 . 1.398(2) yes
N10 C11 . 1.402(2) yes
N10 C19 . 1.446(2) yes
C11 C12 . 1.356(2) ?
C13 C14 . 1.354(2) ?
C15 H15A . .9600 ?
C15 H15B . .9600 ?
C15 H15C . .9600 ?
C16 H16A . .9600 ?
C16 H16B . .9600 ?
C16 H16C . .9600 ?
C17 H17A . .9600 ?
C17 H17B . .9600 ?
C17 H17C . .9600 ?
C18 H18A . .9600 ?
C18 H18B . .9600 ?
C18 H18C . .9600 ?
C19 C24 . 1.375(2) ?
C19 C20 . 1.376(3) ?
C20 C21 . 1.375(3) ?
C20 H20 . .9300 ?
C21 C22 . 1.358(3) ?
C21 H21 . .9300 ?
C22 C23 . 1.354(3) ?
C23 C24 . 1.380(3) ?
C23 H23 . .9300 ?
C24 H24 . .9300 ?
C25 C26 . 1.497(3) ?
C25 H25A . .9700 ?
C25 H25B . .9700 ?
C26 C27 . 1.513(3) ?
C26 H26A . .9700 ?
C26 H26B . .9700 ?
C27 H27A . .9600 ?
C27 H27B . .9600 ?
C27 H27C . .9600 ?
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
C9 H9 O1 1 .98 2.46 2.802(2) 100
C9 H9 O2 1 .98 2.47 2.798(4) 99
C5 H5A O2 4 .97 2.53 3.494(2) 171
C24 H24 O1 7_556 .93 2.56 3.423(3) 155
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
O1 C1 C2 C3 -153.64(19)
C13 C1 C2 C3 29.0(3)
C1 C2 C3 C16 -172.76(17)
C1 C2 C3 C15 66.9(2)
C1 C2 C3 C4 -54.2(2)
C2 C3 C4 C14 48.9(2)
C16 C3 C4 C14 168.09(17)
C15 C3 C4 C14 -71.4(2)
C11 C5 C6 C7 -47.3(2)
C11 C5 C6 C17 73.1(2)
C11 C5 C6 C18 -167.72(18)
C17 C6 C7 C8 -65.9(2)
C18 C6 C7 C8 174.17(17)
C5 C6 C7 C8 55.2(2)
C6 C7 C8 O2 149.49(19)
C6 C7 C8 C12 -32.7(2)
C14 N10 C11 C12 14.5(3)
C19 N10 C11 C12 -177.74(16)
C14 N10 C11 C5 -164.06(16)
C19 N10 C11 C5 3.7(2)
C6 C5 C11 C12 16.6(3)
C6 C5 C11 N10 -164.88(15)
N10 C11 C12 C8 -169.75(16)
C5 C11 C12 C8 8.7(3)
N10 C11 C12 C9 7.1(3)
C5 C11 C12 C9 -174.39(16)
O2 C8 C12 C11 177.26(18)
C7 C8 C12 C11 -.6(3)
O2 C8 C12 C9 .3(3)
C7 C8 C12 C9 -177.53(16)
C13 C9 C12 C11 -26.0(2)
C25 C9 C12 C11 98.9(2)
C13 C9 C12 C8 150.88(16)
C25 C9 C12 C8 -84.2(2)
O1 C1 C13 C14 -172.58(18)
C2 C1 C13 C14 4.8(3)
O1 C1 C13 C9 5.0(3)
C2 C1 C13 C9 -177.60(17)
C12 C9 C13 C14 26.8(2)
C25 C9 C13 C14 -98.7(2)
C12 C9 C13 C1 -150.80(16)
C25 C9 C13 C1 83.7(2)
C1 C13 C14 N10 169.03(16)
C9 C13 C14 N10 -8.5(3)
C1 C13 C14 C4 -10.2(3)
C9 C13 C14 C4 172.34(17)
C11 N10 C14 C13 -13.8(3)
C19 N10 C14 C13 178.52(16)
C11 N10 C14 C4 165.39(15)
C19 N10 C14 C4 -2.3(2)
C3 C4 C14 C13 -18.3(3)
C3 C4 C14 N10 162.53(16)
C14 N10 C19 C24 81.4(2)
C11 N10 C19 C24 -86.3(2)
C14 N10 C19 C20 -98.7(2)
C11 N10 C19 C20 93.6(2)
C24 C19 C20 C21 .2(4)
N10 C19 C20 C21 -179.7(2)
C19 C20 C21 C22 .1(5)
C20 C21 C22 C23 -.2(5)
C20 C21 C22 F1 179.9(3)
F1 C22 C23 C24 180.0(2)
C21 C22 C23 C24 .1(4)
C20 C19 C24 C23 -.3(3)
N10 C19 C24 C23 179.62(17)
C22 C23 C24 C19 .2(3)
C13 C9 C25 C26 62.7(2)
C12 C9 C25 C26 -61.1(2)
C9 C25 C26 C27 -175.0(2)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 21107357
