
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC
#
#######################################################################
#
# If this CIF has been generated from an entry in the Cambridge
# Structural Database, then it will include bibliographic, chemical,
# crystal, experimental, refinement or atomic coordinate data resulting
# from the CCDC's data processing and validation procedures.
#
#######################################################################

data_CSD_CIF_VIWCEK
_audit_creation_date 2008-04-07
_audit_creation_method CSD-ConQuest-V1
_database_code_CSD VIWCEK
_database_code_depnum_ccdc_archive 'CCDC 658384'
_chemical_formula_sum 'C32 H32 N2'
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'C 2/c'
_symmetry_Int_Tables_number 15
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2+y,z
3 -x,y,1/2-z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 -1/2-x,-1/2-y,-z
7 x,-y,-1/2+z
8 -1/2+x,-1/2-y,-1/2+z
_cell_length_a 13.7318(5)
_cell_length_b 10.9074(5)
_cell_length_c 16.9606(8)
_cell_angle_alpha 90
_cell_angle_beta 102.097(2)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
N 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1 N 0.10256(10) 0.32440(11) 0.31487(8)
C1 C 0.03435(12) 0.40453(13) 0.29110(9)
C2 C 0.12617(12) 0.23016(14) 0.26447(9)
C3 C 0.12858(12) 0.10818(14) 0.2923(1)
C4 C 0.16029(13) 0.01806(16) 0.24565(11)
C5 C 0.19137(13) 0.04608(17) 0.17487(11)
C6 C 0.19015(13) 0.16579(17) 0.14884(11)
C7 C 0.15724(13) 0.25776(16) 0.19343(10)
C8 C 0.09835(14) 0.07933(16) 0.37175(10)
C9 C 0.17900(16) 0.1209(2) 0.44280(12)
C10 C 0.07508(19) -0.05553(18) 0.38259(15)
C11 C 0.02108(12) 0.50393(13) 0.34812(10)
C12 C -0.06145(14) 0.58116(15) 0.33221(12)
C13 C -0.07374(16) 0.67113(16) 0.38773(12)
C14 C -0.00356(15) 0.68432(16) 0.45870(12)
C15 C 0.07914(15) 0.60910(16) 0.47410(12)
C16 C 0.09126(14) 0.51922(16) 0.4195(1)
H1 H 0.1638(12) -0.0692(16) 0.2649(9)
H2 H 0.2124(13) -0.0206(17) 0.1425(11)
H3 H 0.2141(12) 0.1862(14) 0.0986(11)
H4 H 0.1551(12) 0.3471(14) 0.1753(10)
H5 H 0.0372(12) 0.1292(14) 0.3723(9)
H6 H 0.2443(15) 0.0748(17) 0.4435(11)
H7 H 0.1594(14) 0.1008(16) 0.4962(12)
H8 H 0.1952(14) 0.2133(18) 0.4409(11)
H9 H 0.1393(16) -0.1066(17) 0.3863(12)
H10 H 0.0266(16) -0.0907(16) 0.3346(13)
H11 H 0.0482(15) -0.0645(17) 0.4350(13)
H12 H -0.1117(13) 0.5727(15) 0.2824(11)
H13 H -0.1299(14) 0.7228(16) 0.376(1)
H14 H -0.0125(13) 0.7515(17) 0.4994(11)
H15 H 0.1303(14) 0.6180(15) 0.5255(12)
H16 H 0.1481(13) 0.4650(15) 0.4318(10)
N1B N -0.10256(10) 0.32440(11) 0.18513(8)
C1B C -0.03435(12) 0.40453(13) 0.20890(9)
C2B C -0.12617(12) 0.23016(14) 0.23553(9)
C3B C -0.12858(12) 0.10818(14) 0.2077(1)
C4B C -0.16029(13) 0.01806(16) 0.25435(11)
C5B C -0.19137(13) 0.04608(17) 0.32513(11)
C6B C -0.19015(13) 0.16579(17) 0.35116(11)
C7B C -0.15724(13) 0.25776(16) 0.30657(10)
C8B C -0.09835(14) 0.07933(16) 0.12825(10)
C9B C -0.17900(16) 0.1209(2) 0.05720(12)
C10B C -0.07508(19) -0.05553(18) 0.11741(15)
C11B C -0.02108(12) 0.50393(13) 0.15188(10)
C12B C 0.06145(14) 0.58116(15) 0.16779(12)
C13B C 0.07374(16) 0.67113(16) 0.11227(12)
C14B C 0.00356(15) 0.68432(16) 0.04130(12)
C15B C -0.07914(15) 0.60910(16) 0.02590(12)
C16B C -0.09126(14) 0.51922(16) 0.0805(1)
H1B H -0.1638(12) -0.0692(16) 0.2351(9)
H2B H -0.2124(13) -0.0206(17) 0.3575(11)
H3B H -0.2141(12) 0.1862(14) 0.4014(11)
H4B H -0.1551(12) 0.3471(14) 0.3247(10)
H5B H -0.0372(12) 0.1292(14) 0.1277(9)
H6B H -0.2443(15) 0.0748(17) 0.0565(11)
H7B H -0.1594(14) 0.1008(16) 0.0038(12)
H8B H -0.1952(14) 0.2133(18) 0.0591(11)
H9B H -0.1393(16) -0.1066(17) 0.1137(12)
H10B H -0.0266(16) -0.0907(16) 0.1654(13)
H11B H -0.0482(15) -0.0645(17) 0.0650(13)
H12B H 0.1117(13) 0.5727(15) 0.2176(11)
H13B H 0.1299(14) 0.7228(16) 0.124(1)
H14B H 0.0125(13) 0.7515(17) 0.0006(11)
H15B H -0.1303(14) 0.6180(15) -0.0255(12)
H16B H -0.1481(13) 0.4650(15) 0.0682(10)
#END
