data_global
_journal_name_full               Chem.Commun.
_journal_coden_cambridge         0182
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_email       ytt@chem.sinica.edu.tw
_publ_contact_author_name        'Yu-Tai Tao'
loop_
_publ_author_name
Md.M.Islam
F.Valiyev
'Hsiu-Feng Lu'
'Ming-Yu Kuo'
'Ito Chao'
'Yu-Tai Tao'

data_ic13742
_database_code_depnum_ccdc_archive 'CCDC 793965'
#TrackingRef 'ic13742.cif'

_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 -x,y,1/2-z
3 1/2+x,1/2+y,z
4 1/2-x,1/2+y,1/2-z
5 -x,-y,-z
6 x,-y,1/2+z
7 1/2-x,1/2-y,-z
8 1/2+x,1/2-y,1/2+z
_cell_length_a                   30.567(2)
_cell_length_b                   3.8084(3)
_cell_length_c                   19.6838(11)
_cell_angle_alpha                90.00
_cell_angle_beta                 112.436(4)
_cell_angle_gamma                90.00
_cell_volume                     2117.97
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C -0.00755(8) 0.7783(7) 0.17464(12)
C2 C -0.0110(2) 0.6715(19) 0.1021(3)
H2 H -0.0412 0.6700 0.0631
C3 C 0.02850(18) 0.5706(17) 0.0876(3)
H3 H 0.0236 0.5138 0.0383
C4 C 0.07372(8) 0.5474(8) 0.13915(13)
C5 C 0.11373(9) 0.4706(8) 0.12209(13)
H5 H 0.1094 0.3820 0.0748
C6 C 0.15842(9) 0.5226(8) 0.17280(13)
H6 H 0.1848 0.4754 0.1600
C7 C 0.16581(8) 0.6451(7) 0.24363(13)
C8 C 0.21228(9) 0.7050(8) 0.29770(14)
H8 H 0.2390 0.6577 0.2856
C9 C 0.21910(9) 0.8265(8) 0.36507(14)
H9 H 0.2504 0.8708 0.3991
C10 C 0.18003(8) 0.8900(7) 0.38632(13)
C11 C 0.18664(8) 1.0071(8) 0.45721(13)
H11 H 0.2178 1.0529 0.4915
C12 C 0.14933(9) 1.0560(9) 0.47763(14)
H12 H 0.1546 1.1396 0.5256
C13 C 0.10230(9) 0.9824(8) 0.42737(13)
C14 C 0.09418(8) 0.8655(7) 0.35611(13)
C15 C 0.13357(8) 0.8258(7) 0.33513(13)
C16 C 0.12627(8) 0.7134(7) 0.26225(13)
C17 C 0.07946(8) 0.6743(7) 0.20877(13)
C18 C 0.03934(8) 0.7501(6) 0.22837(12)
C19 C 0.04670(8) 0.7980(7) 0.30360(12)
C1 C 0.00755(8) 0.7783(7) 0.32536(12)
C2 C 0.0110(2) 0.6715(19) 0.3979(3)
H2 H 0.0412 0.6700 0.4369
C3 C -0.02850(18) 0.5706(17) 0.4124(3)
H3 H -0.0236 0.5138 0.4617
C4 C -0.07372(8) 0.5474(8) 0.36085(13)
C5 C -0.11373(9) 0.4706(8) 0.37791(13)
H5 H -0.1094 0.3820 0.4252
C6 C -0.15842(9) 0.5226(8) 0.32720(13)
H6 H -0.1848 0.4754 0.3400
C7 C -0.16581(8) 0.6451(7) 0.25637(13)
C8 C -0.21228(9) 0.7050(8) 0.20230(14)
H8 H -0.2390 0.6577 0.2144
C9 C -0.21910(9) 0.8265(8) 0.13493(14)
H9 H -0.2504 0.8708 0.1009
C10 C -0.18003(8) 0.8900(7) 0.11368(13)
C11 C -0.18664(8) 1.0071(8) 0.04279(13)
H11 H -0.2178 1.0529 0.0085
C12 C -0.14933(9) 1.0560(9) 0.02237(14)
H12 H -0.1546 1.1396 -0.0256
C13 C -0.10230(9) 0.9824(8) 0.07263(13)
C14 C -0.09418(8) 0.8655(7) 0.14389(13)
C15 C -0.13357(8) 0.8258(7) 0.16487(13)
C16 C -0.12627(8) 0.7134(7) 0.23775(13)
C17 C -0.07946(8) 0.6743(7) 0.29123(13)
C18 C -0.03934(8) 0.7501(6) 0.27163(12)
C19 C -0.04670(8) 0.7980(7) 0.19640(12)
H4 H 0.1002 0.4687 0.1284
H13 H 0.1334 1.0504 0.4605
C20 C 0.06362(14) 0.9760(12) 0.4475(2)
H20 H 0.0687 1.0290 0.4971
C21 C 0.01904(18) 0.8995(14) 0.4012(3)
H21 H -0.0059 0.9250 0.4183

#END