#------------------------------------------------------------------------------
#$Date: 2016-03-26 15:06:29 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180287 $
#$URL: svn://www.crystallography.net/cod/cif/7/15/01/7150199.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_7150199
loop_
_publ_author_name
'O'Leary, Jane'
'Formosa, Xavier'
'Skranc, Wolfgang'
'Wallis, John D.'
_publ_section_title
;
 Structural studies of peri-interactions and bond formation between
 electron-rich atomic centres and N-phenylcarboxamides or nitroalkenyl
 groups.
;
_journal_issue                   18
_journal_name_full               'Organic & biomolecular chemistry'
_journal_page_first              3273
_journal_page_last               3283
_journal_paper_doi               10.1039/b506045a
_journal_volume                  3
_journal_year                    2005
_chemical_formula_sum            'C18 H15 N O2'
_chemical_formula_weight         277.31
_chemical_melting_point          462.0(10)
_chemical_name_systematic
;
N-Phenyl-8-methoxy-1-naphthamide
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                70.822(2)
_cell_angle_beta                 68.5730(18)
_cell_angle_gamma                76.360(2)
_cell_formula_units_Z            4
_cell_length_a                   9.7709(4)
_cell_length_b                   12.8905(5)
_cell_length_c                   13.2494(6)
_cell_measurement_reflns_used    20782
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      2.99
_cell_volume                     1454.45(11)
_computing_cell_refinement
'DENZO (Otwinowski and Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_data_collection
'DENZO (Otwinowski and Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_data_reduction
'DENZO (Otwinowski and Minor, 1997) and COLLECT (Hooft, 1998)'
_computing_molecular_graphics    'ORTEPIII (Johnson and Burnett, 1996)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.958
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'Enraf Nonius KappaCCD area detector'
_diffrn_measurement_method       'Phi and Omega scans to fill Ewald sphere'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enraf Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0993
_diffrn_reflns_av_sigmaI/netI    0.1000
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            20782
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         2.99
_exptl_absorpt_coefficient_mu    0.083
_exptl_absorpt_correction_T_max  0.637
_exptl_absorpt_correction_T_min  0.637
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
using multiple and symmetry-related data measurements via
the program SORTAV (Blessing, 1995)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.266
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             584
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.209
_refine_diff_density_min         -0.322
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.909
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     554
_refine_ls_number_reflns         6430
_refine_ls_number_restraints     162
_refine_ls_restrained_S_all      0.902
_refine_ls_R_factor_all          0.1308
_refine_ls_R_factor_gt           0.0641
_refine_ls_shift/su_max          0.071
_refine_ls_shift/su_mean         0.018
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1040P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1522
_refine_ls_wR_factor_ref         0.1759
_reflns_number_gt                3576
_reflns_number_total             6430
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b506045a.txt
_cod_data_source_block           methoxy-N-phenylamide
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '461-463' was changed to '462.0(10)'
- the average value was taken and precision was estimated.

Automatic conversion script
Id: cif_fix_values 1569 2011-02-09 13:29:24Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7150199
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
_atom_site_disorder_assembly
_atom_site_disorder_group
O1A O 0.79806(16) 0.92679(11) 0.07929(11) 0.0409(4) Uani 1 1 d D . .
O2A O 0.64247(14) 0.77117(11) 0.28970(12) 0.0386(4) Uani 1 1 d D . .
N1A N 0.89056(17) 0.74260(12) 0.26264(14) 0.0330(4) Uani 1 1 d D . .
C1A C 0.8088(2) 1.02118(14) 0.10021(14) 0.0340(5) Uani 1 1 d D . .
C2A C 0.8372(2) 1.11915(16) 0.01957(16) 0.0431(5) Uani 1 1 d D . .
C3A C 0.8423(3) 1.21240(17) 0.05086(18) 0.0496(6) Uani 1 1 d D . .
C4A C 0.8155(2) 1.20772(16) 0.16002(16) 0.0441(6) Uani 1 1 d D . .
C5A C 0.7418(2) 1.10466(17) 0.36048(15) 0.0400(5) Uani 1 1 d D . .
C6A C 0.7076(3) 1.01025(17) 0.44267(17) 0.0447(6) Uani 1 1 d D . .
C7A C 0.7155(2) 0.91206(17) 0.41401(16) 0.0417(5) Uani 1 1 d D . .
C8A C 0.7520(2) 0.91154(13) 0.30399(13) 0.0315(5) Uani 1 1 d D . .
C9A C 0.7827(2) 1.01133(13) 0.21632(13) 0.0312(5) Uani 1 1 d D . .
C10A C 0.7813(2) 1.10857(14) 0.24583(14) 0.0349(5) Uani 1 1 d D . .
C11A C 0.75581(19) 0.80292(14) 0.28247(15) 0.0313(5) Uani 1 1 d D . .
C12A C 0.93387(19) 0.64301(14) 0.22868(15) 0.0303(4) Uani 1 1 d D . .
C13A C 1.0687(2) 0.58288(15) 0.23813(18) 0.0347(5) Uani 1 1 d D . .
C14A C 1.1240(2) 0.48910(17) 0.19924(19) 0.0419(5) Uani 1 1 d D . .
C15A C 1.0443(2) 0.45303(18) 0.1533(2) 0.0457(6) Uani 1 1 d D . .
C16A C 0.9091(2) 0.51208(17) 0.14598(19) 0.0418(5) Uani 1 1 d D . .
C17A C 0.8524(2) 0.60660(16) 0.18334(17) 0.0361(5) Uani 1 1 d D . .
C18A C 0.7977(3) 0.9346(3) -0.03088(19) 0.0508(6) Uani 1 1 d D . .
H1A H 0.967(2) 0.7719(17) 0.2640(16) 0.035(6) Uiso 1 1 d . . .
H2A H 0.855(2) 1.1261(17) -0.0625(19) 0.043(6) Uiso 1 1 d . . .
H3A H 0.865(3) 1.282(2) -0.009(2) 0.076(8) Uiso 1 1 d . . .
H4A H 0.820(2) 1.273(2) 0.1846(19) 0.054(7) Uiso 1 1 d . . .
H5A H 0.745(3) 1.171(2) 0.3800(19) 0.055(7) Uiso 1 1 d . . .
H6A H 0.686(3) 1.011(2) 0.522(2) 0.079(8) Uiso 1 1 d . . .
H7A H 0.688(2) 0.8453(19) 0.4759(19) 0.044(6) Uiso 1 1 d . . .
H13A H 1.124(2) 0.6073(15) 0.2689(15) 0.024(5) Uiso 1 1 d . . .
H14A H 1.221(3) 0.4513(19) 0.1997(19) 0.055(7) Uiso 1 1 d . . .
H15A H 1.086(2) 0.384(2) 0.1231(19) 0.056(7) Uiso 1 1 d . . .
H16A H 0.855(2) 0.4868(18) 0.1150(18) 0.045(6) Uiso 1 1 d . . .
H17A H 0.759(2) 0.6487(18) 0.1784(18) 0.045(6) Uiso 1 1 d . . .
H18X H 0.893(3) 0.9540(18) -0.0873(19) 0.043(6) Uiso 1 1 d . . .
H18Y H 0.781(3) 0.858(2) -0.023(2) 0.063(8) Uiso 1 1 d . . .
H18Z H 0.714(3) 0.989(2) -0.049(2) 0.065(8) Uiso 1 1 d . . .
O1B O 0.2621 0.6563 0.4400 0.042 Uani 0.85 1 d PD A 1
O2B O 0.1588 0.8147 0.2519 0.035 Uani 0.85 1 d PD A 1
N1B N 0.3635 0.8671 0.2547 0.030 Uani 0.85 1 d PD A 1
C1B C 0.3404 0.5662 0.4023 0.035 Uani 0.85 1 d PD A 1
C2B C 0.3578 0.4618 0.4717 0.042 Uani 0.85 1 d PD A 1
C3B C 0.4419 0.3748 0.4231 0.050 Uani 0.85 1 d PD A 1
C4B C 0.5028 0.3925 0.3102 0.046 Uani 0.85 1 d PD A 1
C5B C 0.5539 0.5203 0.1189 0.041 Uani 0.85 1 d PD A 1
C6B C 0.5424 0.6238 0.0494 0.045 Uani 0.85 1 d PD A 1
C7B C 0.4601 0.7135 0.0946 0.039 Uani 0.85 1 d PD A 1
C8B C 0.3900 0.6975 0.2080 0.032 Uani 0.85 1 d PD A 1
C9B C 0.4056 0.5900 0.2827 0.030 Uani 0.85 1 d PD A 1
C10B C 0.4887 0.5002 0.2365 0.037 Uani 0.85 1 d PD A 1
C11B C 0.2912 0.7967 0.2444 0.029 Uani 0.85 1 d PD A 1
C12B C 0.3043 0.9727 0.2756 0.030 Uani 0.85 1 d PD A 1
C13B C 0.4040 1.0472 0.2426 0.040 Uani 0.85 1 d PD A 1
C14B C 0.3561 1.1504 0.2636 0.049 Uani 0.85 1 d PD A 1
C15B C 0.2082 1.1800 0.3168 0.053 Uani 0.85 1 d PD A 1
C16B C 0.1090 1.1063 0.3473 0.055 Uani 0.85 1 d PD A 1
C17B C 0.1554 1.0020 0.3286 0.038 Uani 0.85 1 d PD A 1
C18B C 0.1784 0.6362 0.5566 0.059 Uani 0.85 1 d PD A 1
H2B H 0.3127 0.4471 0.5629 0.089 Uiso 0.85 1 d P A 1
H3B H 0.4480 0.3000 0.4810 0.089 Uiso 0.85 1 d P A 1
H5B H 0.6147 0.4547 0.0842 0.089 Uiso 0.85 1 d P A 1
H6B H 0.5901 0.6476 -0.0384 0.089 Uiso 0.85 1 d P A 1
H7B H 0.4521 0.7844 0.0432 0.089 Uiso 0.85 1 d P A 1
H13B H 0.5186 1.0205 0.2047 0.089 Uiso 0.85 1 d P A 1
H15B H 0.1677 1.2567 0.3389 0.089 Uiso 0.85 1 d P A 1
H18C H 0.1018 0.5876 0.5742 0.089 Uiso 0.85 1 d P A 1
H18D H 0.1209 0.7049 0.5656 0.089 Uiso 0.85 1 d P A 1
H18E H 0.2450 0.6056 0.6141 0.089 Uiso 0.85 1 d P A 1
H1B H 0.4516 0.8405 0.2524 0.042 Uiso 0.85 1 d P A 1
H4B H 0.5704 0.3288 0.2738 0.059 Uiso 0.85 1 d P A 1
H14B H 0.4276 1.2038 0.2372 0.047 Uiso 0.85 1 d P A 1
H16B H 0.0033 1.1272 0.3842 0.057 Uiso 0.85 1 d P A 1
H17B H 0.0880 0.9582 0.3456 0.033 Uiso 0.85 1 d P A 1
O1C O 0.4280 0.7353 0.1205 0.042 Uani 0.15 1 d PD A 2
O2C O 0.1332 0.8072 0.2926 0.035 Uani 0.15 1 d PD A 2
N1C N 0.3366 0.8507 0.3068 0.030 Uani 0.15 1 d PD A 2
H1C H 0.4196 0.8215 0.3229 0.046 Uiso 0.15 1 calc PR A 2
C1C C 0.4551 0.6236 0.1642 0.035 Uani 0.15 1 d PD A 2
C2C C 0.5276 0.5504 0.1002 0.042 Uani 0.15 1 d PD A 2
H2C H 0.5607 0.5759 0.0204 0.063 Uiso 0.15 1 calc PR A 2
C3C C 0.5521 0.4367 0.1548 0.050 Uani 0.15 1 d PD A 2
H3C H 0.6027 0.3857 0.1109 0.075 Uiso 0.15 1 calc PR A 2
C4C C 0.5049 0.3989 0.2684 0.046 Uani 0.15 1 d PD A 2
H4C H 0.5246 0.3221 0.3030 0.069 Uiso 0.15 1 calc PR A 2
C5C C 0.3783 0.4344 0.4548 0.041 Uani 0.15 1 d PD A 2
H5C H 0.3978 0.3578 0.4899 0.061 Uiso 0.15 1 calc PR A 2
C6C C 0.3043 0.5051 0.5197 0.045 Uani 0.15 1 d PD A 2
H6C H 0.2751 0.4784 0.5994 0.068 Uiso 0.15 1 calc PR A 2
C7C C 0.2711 0.6190 0.4679 0.039 Uani 0.15 1 d PD A 2
H7C H 0.2204 0.6683 0.5137 0.059 Uiso 0.15 1 calc PR A 2
C8C C 0.3104 0.6594 0.3533 0.032 Uani 0.15 1 d PD A 2
C9C C 0.3901 0.5864 0.2837 0.030 Uani 0.15 1 d PD A 2
C10C C 0.4265 0.4725 0.3366 0.037 Uani 0.15 1 d PD A 2
C11C C 0.2548 0.7795 0.3083 0.029 Uani 0.15 1 d PD A 2
C12C C 0.3041 0.9679 0.2822 0.030 Uani 0.15 1 d PD A 2
C13C C 0.4240 1.0272 0.2371 0.040 Uani 0.15 1 d PD A 2
H13C H 0.5221 0.9895 0.2187 0.060 Uiso 0.15 1 calc PR A 2
C14C C 0.4009 1.1412 0.2190 0.049 Uani 0.15 1 d PD A 2
H14C H 0.4831 1.1819 0.1845 0.074 Uiso 0.15 1 calc PR A 2
C15C C 0.2593 1.1956 0.2509 0.053 Uani 0.15 1 d PD A 2
H15C H 0.2434 1.2733 0.2416 0.080 Uiso 0.15 1 calc PR A 2
C16C C 0.1405 1.1360 0.2964 0.055 Uani 0.15 1 d PD A 2
H16C H 0.0432 1.1724 0.3232 0.083 Uiso 0.15 1 calc PR A 2
C17C C 0.1610 1.0239 0.3038 0.038 Uani 0.15 1 d PD A 2
H17C H 0.0786 0.9861 0.3232 0.056 Uiso 0.15 1 calc PR A 2
C18C C 0.5009 0.7797 0.0033 0.059 Uani 0.15 1 d PD A 2
H18J H 0.4494 0.7658 -0.0411 0.089 Uiso 0.15 1 calc PR A 2
H18K H 0.6039 0.7440 -0.0166 0.089 Uiso 0.15 1 calc PR A 2
H18L H 0.4995 0.8597 -0.0127 0.089 Uiso 0.15 1 calc PR A 2
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'
N N 0.0061 0.0033 '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'
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
_geom_angle_publ_flag
C1A O1A C18A 117.75(17) . . ?
C11A N1A C12A 127.70(15) . . ?
O1A C1A C2A 124.29(15) . . ?
O1A C1A C9A 114.29(14) . . ?
C2A C1A C9A 121.39(15) . . ?
C1A C2A C3A 119.62(17) . . ?
C4A C3A C2A 121.13(18) . . ?
C3A C4A C10A 120.60(18) . . ?
C6A C5A C10A 121.40(17) . . ?
C5A C6A C7A 119.90(17) . . ?
C8A C7A C6A 121.04(18) . . ?
C7A C8A C9A 119.87(14) . . ?
C7A C8A C11A 116.90(15) . . ?
C9A C8A C11A 123.23(14) . . ?
C10A C9A C8A 118.58(13) . . ?
C10A C9A C1A 117.54(14) . . ?
C8A C9A C1A 123.82(14) . . ?
C5A C10A C4A 121.31(16) . . ?
C5A C10A C9A 119.10(15) . . ?
C4A C10A C9A 119.57(15) . . ?
O2A C11A N1A 124.06(15) . . ?
O2A C11A C8A 121.78(15) . . ?
N1A C11A C8A 114.02(15) . . ?
C17A C12A C13A 119.61(15) . . ?
C17A C12A N1A 123.65(15) . . ?
C13A C12A N1A 116.69(15) . . ?
C14A C13A C12A 120.28(16) . . ?
C15A C14A C13A 120.37(17) . . ?
C14A C15A C16A 119.06(18) . . ?
C15A C16A C17A 121.47(17) . . ?
C16A C17A C12A 119.18(17) . . ?
C1B O1B C18B 117.0 . . ?
C11B N1B C12B 127.3 . . ?
O1B C1B C2B 123.8 . . ?
O1B C1B C9B 114.1 . . ?
C2B C1B C9B 122.1 . . ?
C1B C2B C3B 118.8 . . ?
C4B C3B C2B 121.4 . . ?
C3B C4B C10B 121.0 . . ?
C6B C5B C10B 121.2 . . ?
C5B C6B C7B 119.9 . . ?
C8B C7B C6B 121.1 . . ?
C7B C8B C9B 119.7 . . ?
C7B C8B C11B 116.1 . . ?
C9B C8B C11B 124.1 . . ?
C10B C9B C8B 118.7 . . ?
C10B C9B C1B 117.6 . . ?
C8B C9B C1B 123.6 . . ?
C5B C10B C4B 121.7 . . ?
C5B C10B C9B 119.3 . . ?
C4B C10B C9B 119.1 . . ?
O2B C11B N1B 124.2 . . ?
O2B C11B C8B 121.3 . . ?
N1B C11B C8B 114.1 . . ?
C13B C12B C17B 119.8 . . ?
C13B C12B N1B 116.8 . . ?
C17B C12B N1B 123.4 . . ?
C12B C13B C14B 120.4 . . ?
C15B C14B C13B 120.2 . . ?
C14B C15B C16B 119.2 . . ?
C15B C16B C17B 121.4 . . ?
C16B C17B C12B 119.1 . . ?
C1C O1C C18C 117.3 . . ?
C11C N1C C12C 127.3 . . ?
O1C C1C C2C 123.9 . . ?
O1C C1C C9C 114.3 . . ?
C2C C1C C9C 121.6 . . ?
C1C C2C C3C 118.9 . . ?
C4C C3C C2C 121.4 . . ?
C3C C4C C10C 120.8 . . ?
C6C C5C C10C 121.3 . . ?
C5C C6C C7C 119.6 . . ?
C8C C7C C6C 121.4 . . ?
C7C C8C C9C 119.8 . . ?
C7C C8C C11C 116.4 . . ?
C9C C8C C11C 123.6 . . ?
C10C C9C C8C 118.4 . . ?
C10C C9C C1C 117.3 . . ?
C8C C9C C1C 123.6 . . ?
C5C C10C C4C 121.4 . . ?
C5C C10C C9C 119.4 . . ?
C4C C10C C9C 119.1 . . ?
O2C C11C N1C 124.0 . . ?
O2C C11C C8C 121.4 . . ?
N1C C11C C8C 113.6 . . ?
C13C C12C C17C 119.7 . . ?
C13C C12C N1C 116.8 . . ?
C17C C12C N1C 123.5 . . ?
C14C C13C C12C 120.2 . . ?
C15C C14C C13C 120.2 . . ?
C14C C15C C16C 119.3 . . ?
C15C C16C C17C 121.1 . . ?
C16C C17C C12C 118.7 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1A C1A 1.3680(19) . ?
O1A C18A 1.431(2) . ?
O2A C11A 1.2303(19) . ?
N1A C11A 1.344(2) . ?
N1A C12A 1.4190(19) . ?
C1A C2A 1.369(2) . ?
C1A C9A 1.431(2) . ?
C2A C3A 1.411(2) . ?
C3A C4A 1.355(2) . ?
C4A C10A 1.417(2) . ?
C5A C6A 1.354(2) . ?
C5A C10A 1.410(2) . ?
C6A C7A 1.414(2) . ?
C7A C8A 1.370(2) . ?
C8A C9A 1.428(2) . ?
C8A C11A 1.508(2) . ?
C9A C10A 1.426(2) . ?
C12A C17A 1.387(2) . ?
C12A C13A 1.388(2) . ?
C13A C14A 1.384(2) . ?
C14A C15A 1.377(2) . ?
C15A C16A 1.380(2) . ?
C16A C17A 1.383(2) . ?
O1B C1B 1.3659 . ?
O1B C18B 1.4281 . ?
O2B C11B 1.2310 . ?
N1B C11B 1.3401 . ?
N1B C12B 1.4225 . ?
C1B C2B 1.3709 . ?
C1B C9B 1.4312 . ?
C2B C3B 1.4143 . ?
C3B C4B 1.3542 . ?
C4B C10B 1.4194 . ?
C5B C6B 1.3561 . ?
C5B C10B 1.4090 . ?
C6B C7B 1.4169 . ?
C7B C8B 1.3715 . ?
C8B C9B 1.4261 . ?
C8B C11B 1.5108 . ?
C9B C10B 1.4260 . ?
C12B C13B 1.3845 . ?
C12B C17B 1.3863 . ?
C13B C14B 1.3851 . ?
C14B C15B 1.3791 . ?
C15B C16B 1.3795 . ?
C16B C17B 1.3862 . ?
O1C C1C 1.3653 . ?
O1C C18C 1.4303 . ?
O2C C11C 1.2309 . ?
N1C C11C 1.3435 . ?
N1C C12C 1.4199 . ?
C1C C2C 1.3722 . ?
C1C C9C 1.4315 . ?
C2C C3C 1.4121 . ?
C3C C4C 1.3541 . ?
C4C C10C 1.4206 . ?
C5C C6C 1.3572 . ?
C5C C10C 1.4076 . ?
C6C C7C 1.4165 . ?
C7C C8C 1.3690 . ?
C8C C9C 1.4283 . ?
C8C C11C 1.5104 . ?
C9C C10C 1.4268 . ?
C12C C13C 1.3863 . ?
C12C C17C 1.3878 . ?
C13C C14C 1.3854 . ?
C14C C15C 1.3770 . ?
C15C C16C 1.3800 . ?
C16C C17C 1.3868 . ?
