#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:47:40 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180096 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/42/7054212.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_7054212
loop_
_publ_author_name
'Che, Yanchao'
'Tian, Xiaohui'
'Chen, Hui'
'Tang, Zhenyu'
'Lin, Jiaping'
_publ_section_title
;
 Syntheses and third-order NLO properties of ?6 complexes of
 N-ethylcarbazole with Cr(CO)3 and Cr(CO)2PPh3 moieties
;
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              883
_journal_paper_doi               10.1039/b518346d
_journal_volume                  30
_journal_year                    2006
_chemical_formula_sum            'C17 H13 Cr N O3'
_chemical_formula_weight         331.28
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.8290(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.7347(7)
_cell_length_b                   11.5839(9)
_cell_length_c                   14.6847(11)
_cell_measurement_reflns_used    3855
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      55.196
_cell_measurement_theta_min      4.429
_cell_volume                     1485.7(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0701
_diffrn_reflns_av_sigmaI/netI    0.0500
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            8541
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.24
_exptl_absorpt_coefficient_mu    0.781
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.75333
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.481
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             680
_exptl_crystal_size_max          0.489
_exptl_crystal_size_mid          0.325
_exptl_crystal_size_min          0.237
_refine_diff_density_max         0.407
_refine_diff_density_min         -0.550
_refine_diff_density_rms         0.062
_refine_ls_extinction_coef       0.0087(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     217
_refine_ls_number_reflns         3212
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0469
_refine_ls_R_factor_gt           0.0402
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0655P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1098
_refine_ls_wR_factor_ref         0.1141
_reflns_number_gt                2666
_reflns_number_total             3212
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b518346d.txt
_cod_data_source_block           Complex_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7054212
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
Cr Cr 0.75048(3) 0.26147(3) 1.001511(16) 0.03865(15) Uani 1 1 d .
O1 O 0.8153(3) 0.51249(16) 1.02413(15) 0.0994(7) Uani 1 1 d .
O2 O 0.4319(2) 0.3037(2) 1.06265(15) 0.1144(9) Uani 1 1 d .
O3 O 0.6526(2) 0.30945(18) 0.81038(10) 0.0790(5) Uani 1 1 d .
N1 N 0.86239(17) 0.03696(13) 0.86895(10) 0.0417(4) Uani 1 1 d .
C1 C 0.7925(3) 0.4161(2) 1.01509(16) 0.0611(6) Uani 1 1 d .
C2 C 0.5551(3) 0.2887(2) 1.03883(15) 0.0646(6) Uani 1 1 d .
C3 C 0.6895(2) 0.29079(18) 0.88434(14) 0.0484(5) Uani 1 1 d .
C4 C 0.84960(19) 0.08621(14) 0.95358(12) 0.0385(4) Uani 1 1 d .
C5 C 0.7406(2) 0.06832(18) 1.02030(15) 0.0473(5) Uani 1 1 d .
C6 C 0.7632(3) 0.12449(19) 1.10515(14) 0.0524(5) Uani 1 1 d .
C7 C 0.8850(3) 0.1998(2) 1.12020(14) 0.0532(5) Uani 1 1 d .
C8 C 0.9870(2) 0.22510(16) 1.05029(13) 0.0448(4) Uani 1 1 d .
C9 C 0.97164(19) 0.16739(14) 0.96641(12) 0.0372(4) Uani 1 1 d .
C10 C 1.06132(19) 0.16319(14) 0.88479(12) 0.0387(4) Uani 1 1 d .
C11 C 0.9913(2) 0.08199(15) 0.82713(12) 0.0400(4) Uani 1 1 d .
C12 C 1.0534(2) 0.05217(18) 0.74357(13) 0.0509(5) Uani 1 1 d .
H12 H 1.0047 0.0000 0.7047 0.061 Uiso 1 1 calc R
C13 C 1.1905(3) 0.10344(19) 0.72100(15) 0.0570(6) Uani 1 1 d .
H13 H 1.2358 0.0843 0.6661 0.068 Uiso 1 1 calc R
C14 C 1.2621(2) 0.18245(19) 0.77790(17) 0.0566(5) Uani 1 1 d .
H14 H 1.3547 0.2149 0.7606 0.068 Uiso 1 1 calc R
C15 C 1.1992(2) 0.21408(17) 0.85949(15) 0.0486(5) Uani 1 1 d .
H15 H 1.2474 0.2681 0.8969 0.058 Uiso 1 1 calc R
C16 C 0.7564(2) -0.04564(17) 0.82791(15) 0.0551(5) Uani 1 1 d .
H16A H 0.7114 -0.0919 0.8756 0.066 Uiso 1 1 calc R
H16B H 0.8128 -0.0971 0.7885 0.066 Uiso 1 1 calc R
C17 C 0.6309(3) 0.0112(2) 0.7736(2) 0.0856(8) Uani 1 1 d .
H17A H 0.5727 0.0605 0.8127 0.118 Uiso 1 1 calc R
H17B H 0.5650 -0.0469 0.7477 0.118 Uiso 1 1 calc R
H17C H 0.6746 0.0563 0.7257 0.118 Uiso 1 1 calc R
H5 H 0.658(2) 0.0174(18) 1.0054(14) 0.049(5) Uiso 1 1 d .
H6 H 0.689(2) 0.1126(18) 1.1493(15) 0.059(6) Uiso 1 1 d .
H7 H 0.895(3) 0.236(2) 1.173(2) 0.080(9) Uiso 1 1 d .
H8 H 1.067(2) 0.2809(17) 1.0583(14) 0.051(6) Uiso 1 1 d .
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'
Cr Cr 0.3209 0.6236 '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
C3 Cr C2 89.39(10)
C3 Cr C1 88.63(10)
C2 Cr C1 89.16(12)
C3 Cr C6 142.86(9)
C2 Cr C6 87.42(10)
C1 Cr C6 128.28(10)
C3 Cr C7 161.70(9)
C2 Cr C7 107.94(9)
C1 Cr C7 97.26(10)
C6 Cr C7 36.80(8)
C3 Cr C8 126.70(9)
C2 Cr C8 143.69(9)
C1 Cr C8 88.07(9)
C6 Cr C8 66.56(8)
C7 Cr C8 36.90(8)
C3 Cr C5 106.77(9)
C2 Cr C5 95.55(10)
C1 Cr C5 163.89(10)
C6 Cr C5 37.05(8)
C7 Cr C5 66.63(8)
C8 Cr C5 79.01(7)
C3 Cr C9 96.45(8)
C2 Cr C9 161.24(10)
C1 Cr C9 108.73(9)
C6 Cr C9 77.15(7)
C7 Cr C9 65.25(7)
C8 Cr C9 36.37(6)
C5 Cr C9 65.70(7)
C3 Cr C4 88.97(8)
C2 Cr C4 126.59(10)
C1 Cr C4 144.13(9)
C6 Cr C4 64.12(7)
C7 Cr C4 76.09(7)
C8 Cr C4 65.28(6)
C5 Cr C4 35.37(7)
C9 Cr C4 36.23(6)
C4 N1 C11 108.70(14)
C4 N1 C16 126.02(16)
C11 N1 C16 125.25(16)
O1 C1 Cr 178.5(2)
O2 C2 Cr 178.8(3)
O3 C3 Cr 179.3(2)
N1 C4 C5 129.84(17)
N1 C4 C9 108.77(15)
C5 C4 C9 121.39(17)
N1 C4 Cr 132.34(12)
C5 C4 Cr 69.79(11)
C9 C4 Cr 70.48(9)
C4 C5 C6 117.55(19)
C4 C5 Cr 74.83(11)
C6 C5 Cr 69.33(12)
C4 C5 H5 116.9(12)
C6 C5 H5 125.5(12)
Cr C5 H5 128.0(12)
C7 C6 C5 121.6(2)
C7 C6 Cr 71.84(12)
C5 C6 Cr 73.62(12)
C7 C6 H6 121.2(14)
C5 C6 H6 117.1(14)
Cr C6 H6 124.1(13)
C6 C7 C8 120.55(19)
C6 C7 Cr 71.35(11)
C8 C7 Cr 71.97(11)
C6 C7 H7 120(2)
C8 C7 H7 119(2)
Cr C7 H7 125.6(18)
C7 C8 C9 119.27(19)
C7 C8 Cr 71.13(12)
C9 C8 Cr 74.37(10)
C7 C8 H8 121.6(12)
C9 C8 H8 119.2(12)
Cr C8 H8 126.0(12)
C8 C9 C4 119.28(17)
C8 C9 C10 134.26(17)
C4 C9 C10 106.30(15)
C8 C9 Cr 69.26(11)
C4 C9 Cr 73.29(10)
C10 C9 Cr 132.47(11)
C15 C10 C11 119.58(18)
C15 C10 C9 133.47(17)
C11 C10 C9 106.71(15)
N1 C11 C12 128.60(17)
N1 C11 C10 109.51(15)
C12 C11 C10 121.82(18)
C13 C12 C11 117.1(2)
C13 C12 H12 121.5
C11 C12 H12 121.5
C12 C13 C14 121.7(2)
C12 C13 H13 119.1
C14 C13 H13 119.1
C15 C14 C13 121.3(2)
C15 C14 H14 119.3
C13 C14 H14 119.3
C14 C15 C10 118.4(2)
C14 C15 H15 120.8
C10 C15 H15 120.8
N1 C16 C17 112.80(18)
N1 C16 H16A 109.0
C17 C16 H16A 109.0
N1 C16 H16B 109.0
C17 C16 H16B 109.0
H16A C16 H16B 107.8
C16 C17 H17A 109.5
C16 C17 H17B 109.5
H17A C17 H17B 109.5
C16 C17 H17C 109.5
H17A C17 H17C 109.5
H17B C17 H17C 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Cr C3 1.826(2)
Cr C2 1.828(2)
Cr C1 1.839(2)
Cr C6 2.200(2)
Cr C7 2.207(2)
Cr C8 2.217(2)
Cr C5 2.256(2)
Cr C9 2.2834(17)
Cr C4 2.3204(17)
O1 C1 1.142(3)
O2 C2 1.149(3)
O3 C3 1.149(2)
N1 C4 1.373(2)
N1 C11 1.392(2)
N1 C16 1.456(2)
C4 C5 1.392(3)
C4 C9 1.432(2)
C5 C6 1.417(3)
C5 H5 0.95(2)
C6 C7 1.391(3)
C6 H6 0.93(2)
C7 C8 1.400(3)
C7 H7 0.88(3)
C8 C9 1.406(3)
C8 H8 0.96(2)
C9 C10 1.442(3)
C10 C15 1.396(3)
C10 C11 1.400(2)
C11 C12 1.392(3)
C12 C13 1.381(3)
C12 H12 0.9300
C13 C14 1.383(3)
C13 H13 0.9300
C14 C15 1.375(3)
C14 H14 0.9300
C15 H15 0.9300
C16 C17 1.498(3)
C16 H16A 0.9700
C16 H16B 0.9700
C17 H17A 0.9600
C17 H17B 0.9600
C17 H17C 0.9600
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
C3 Cr C1 O1 89(9)
C2 Cr C1 O1 0(9)
C6 Cr C1 O1 -86(9)
C7 Cr C1 O1 -108(9)
C8 Cr C1 O1 -144(9)
C5 Cr C1 O1 -108(9)
C9 Cr C1 O1 -175(100)
C4 Cr C1 O1 175(100)
C3 Cr C2 O2 111(11)
C1 Cr C2 O2 -161(11)
C6 Cr C2 O2 -32(11)
C7 Cr C2 O2 -63(11)
C8 Cr C2 O2 -75(11)
C5 Cr C2 O2 4(11)
C9 Cr C2 O2 2(11)
C4 Cr C2 O2 23(11)
C2 Cr C3 O3 160(18)
C1 Cr C3 O3 71(18)
C6 Cr C3 O3 -115(18)
C7 Cr C3 O3 -39(18)
C8 Cr C3 O3 -16(18)
C5 Cr C3 O3 -105(18)
C9 Cr C3 O3 -38(18)
C4 Cr C3 O3 -74(18)
C11 N1 C4 C5 -179.67(18)
C16 N1 C4 C5 2.3(3)
C11 N1 C4 C9 1.28(19)
C16 N1 C4 C9 -176.75(16)
C11 N1 C4 Cr 81.61(19)
C16 N1 C4 Cr -96.4(2)
C3 Cr C4 N1 4.43(17)
C2 Cr C4 N1 92.90(18)
C1 Cr C4 N1 -81.8(2)
C6 Cr C4 N1 157.92(19)
C7 Cr C4 N1 -164.90(18)
C8 Cr C4 N1 -127.36(18)
C5 Cr C4 N1 126.0(2)
C9 Cr C4 N1 -97.98(19)
C3 Cr C4 C5 -121.59(13)
C2 Cr C4 C5 -33.12(15)
C1 Cr C4 C5 152.18(17)
C6 Cr C4 C5 31.90(12)
C7 Cr C4 C5 69.08(13)
C8 Cr C4 C5 106.62(13)
C9 Cr C4 C5 136.00(16)
C3 Cr C4 C9 102.40(12)
C2 Cr C4 C9 -169.12(11)
C1 Cr C4 C9 16.17(18)
C6 Cr C4 C9 -104.11(12)
C7 Cr C4 C9 -66.92(11)
C8 Cr C4 C9 -29.38(10)
C5 Cr C4 C9 -136.00(16)
N1 C4 C5 C6 174.76(18)
C9 C4 C5 C6 -6.3(3)
Cr C4 C5 C6 -56.37(16)
N1 C4 C5 Cr -128.87(19)
C9 C4 C5 Cr 50.08(15)
C3 Cr C5 C4 62.81(13)
C2 Cr C5 C4 153.85(13)
C1 Cr C5 C4 -99.7(3)
C6 Cr C5 C4 -127.91(17)
C7 Cr C5 C4 -98.99(13)
C8 Cr C5 C4 -62.46(11)
C9 Cr C5 C4 -26.77(10)
C3 Cr C5 C6 -169.28(13)
C2 Cr C5 C6 -78.24(14)
C1 Cr C5 C6 28.2(4)
C7 Cr C5 C6 28.92(13)
C8 Cr C5 C6 65.45(13)
C9 Cr C5 C6 101.13(13)
C4 Cr C5 C6 127.91(17)
C4 C5 C6 C7 3.4(3)
Cr C5 C6 C7 -55.77(18)
C4 C5 C6 Cr 59.19(16)
C3 Cr C6 C7 149.34(15)
C2 Cr C6 C7 -125.08(15)
C1 Cr C6 C7 -38.19(18)
C8 Cr C6 C7 28.92(12)
C5 Cr C6 C7 132.19(19)
C9 Cr C6 C7 65.67(13)
C4 Cr C6 C7 101.68(14)
C3 Cr C6 C5 17.1(2)
C2 Cr C6 C5 102.73(14)
C1 Cr C6 C5 -170.37(13)
C7 Cr C6 C5 -132.19(19)
C8 Cr C6 C5 -103.27(13)
C9 Cr C6 C5 -66.52(12)
C4 Cr C6 C5 -30.51(11)
C5 C6 C7 C8 1.9(3)
Cr C6 C7 C8 -54.66(17)
C5 C6 C7 Cr 56.60(18)
C3 Cr C7 C6 -101.3(3)
C2 Cr C7 C6 59.24(16)
C1 Cr C7 C6 150.71(14)
C8 Cr C7 C6 -132.37(19)
C5 Cr C7 C6 -29.10(13)
C9 Cr C7 C6 -101.97(14)
C4 Cr C7 C6 -65.19(13)
C3 Cr C7 C8 31.0(3)
C2 Cr C7 C8 -168.39(14)
C1 Cr C7 C8 -76.92(14)
C6 Cr C7 C8 132.37(19)
C5 Cr C7 C8 103.27(13)
C9 Cr C7 C8 30.40(11)
C4 Cr C7 C8 67.18(12)
C6 C7 C8 C9 -4.4(3)
Cr C7 C8 C9 -58.80(16)
C6 C7 C8 Cr 54.37(17)
C3 Cr C8 C7 -168.35(13)
C2 Cr C8 C7 18.9(2)
C1 Cr C8 C7 104.81(14)
C6 Cr C8 C7 -28.84(13)
C5 Cr C8 C7 -65.53(13)
C9 Cr C8 C7 -129.21(18)
C4 Cr C8 C7 -99.94(13)
C3 Cr C8 C9 -39.13(15)
C2 Cr C8 C9 148.07(17)
C1 Cr C8 C9 -125.98(13)
C6 Cr C8 C9 100.37(13)
C7 Cr C8 C9 129.21(18)
C5 Cr C8 C9 63.69(11)
C4 Cr C8 C9 29.28(10)
C7 C8 C9 C4 1.6(3)
Cr C8 C9 C4 -55.61(14)
C7 C8 C9 C10 -173.09(18)
Cr C8 C9 C10 129.7(2)
C7 C8 C9 Cr 57.19(16)
N1 C4 C9 C8 -176.95(15)
C5 C4 C9 C8 3.9(3)
Cr C4 C9 C8 53.69(14)
N1 C4 C9 C10 -0.93(18)
C5 C4 C9 C10 179.92(16)
Cr C4 C9 C10 -130.29(12)
N1 C4 C9 Cr 129.36(13)
C5 C4 C9 Cr -49.78(15)
C3 Cr C9 C8 149.39(13)
C2 Cr C9 C8 -103.2(3)
C1 Cr C9 C8 58.65(14)
C6 Cr C9 C8 -67.77(12)
C7 Cr C9 C8 -30.82(12)
C5 Cr C9 C8 -105.09(13)
C4 Cr C9 C8 -131.28(16)
C3 Cr C9 C4 -79.34(12)
C2 Cr C9 C4 28.1(3)
C1 Cr C9 C4 -170.08(11)
C6 Cr C9 C4 63.51(11)
C7 Cr C9 C4 100.46(12)
C8 Cr C9 C4 131.28(16)
C5 Cr C9 C4 26.18(10)
C3 Cr C9 C10 17.70(18)
C2 Cr C9 C10 125.1(3)
C1 Cr C9 C10 -73.04(18)
C6 Cr C9 C10 160.55(18)
C7 Cr C9 C10 -162.50(19)
C8 Cr C9 C10 -131.7(2)
C5 Cr C9 C10 123.22(18)
C4 Cr C9 C10 97.04(19)
C8 C9 C10 C15 1.3(3)
C4 C9 C10 C15 -173.90(18)
Cr C9 C10 C15 104.1(2)
C8 C9 C10 C11 175.39(18)
C4 C9 C10 C11 0.23(17)
Cr C9 C10 C11 -81.81(18)
C4 N1 C11 C12 175.88(17)
C16 N1 C11 C12 -6.1(3)
C4 N1 C11 C10 -1.14(19)
C16 N1 C11 C10 176.91(16)
C15 C10 C11 N1 175.64(15)
C9 C10 C11 N1 0.54(18)
C15 C10 C11 C12 -1.6(3)
C9 C10 C11 C12 -176.72(16)
N1 C11 C12 C13 -174.61(17)
C10 C11 C12 C13 2.1(3)
C11 C12 C13 C14 -1.1(3)
C12 C13 C14 C15 -0.4(3)
C13 C14 C15 C10 0.9(3)
C11 C10 C15 C14 0.1(3)
C9 C10 C15 C14 173.60(18)
C4 N1 C16 C17 90.2(3)
C11 N1 C16 C17 -87.5(2)
