data_5000397
_chemical_formula_sum 'C43 H40 Cl2'
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21/n'
_symmetry_Int_Tables_number 14
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 1/2+x,1/2-y,1/2+z
3 -x,-y,-z
4 -1/2-x,-1/2+y,-1/2-z
_cell_length_a 13.3467(9)
_cell_length_b 9.3553(5)
_cell_length_c 27.408(2)
_cell_angle_alpha 90
_cell_angle_beta 102.452(2)
_cell_angle_gamma 90
_cell_formula_units_Z 4
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
C1 C 0.1903(2) 0.0943(3) 0.25344(11)
C2 C 0.0851(2) 0.0872(3) 0.22798(11)
C3 C 0.0551(2) 0.0927(3) 0.17612(11)
C4 C 0.1299(2) 0.1145(3) 0.14574(11)
C5 C 0.1160(2) 0.1465(3) 0.09305(12)
C6 C 0.2004(2) 0.1241(3) 0.07247(12)
H1 H 0.1891(2) 0.1329(3) 0.03718(12)
C7 C 0.3019(2) 0.0895(3) 0.09751(11)
C8 C 0.3205(2) 0.0902(3) 0.14920(12)
C9 C 0.4115(2) 0.0772(3) 0.19175(12)
C10 C 0.5161(2) 0.0657(3) 0.19480(13)
H2 H 0.5419(2) 0.0662(3) 0.16508(13)
C11 C 0.5834(3) 0.0536(3) 0.24052(13)
H3 H 0.6549(3) 0.0456(3) 0.24186(13)
C12 C 0.5483(2) 0.0530(3) 0.28421(13)
H4 H 0.5954(2) 0.0447(3) 0.31546(13)
C13 C 0.4439(2) 0.0644(3) 0.28241(12)
H5 H 0.4193(2) 0.0619(3) 0.31246(12)
C14 C 0.3754(2) 0.0794(3) 0.23689(11)
C15 C 0.2633(2) 0.0933(3) 0.22440(11)
C16 C 0.2333(2) 0.1010(3) 0.17177(11)
C17 C 0.2190(2) 0.1005(3) 0.30906(11)
C18 C 0.2644(2) 0.2243(3) 0.33207(12)
H6 H 0.2769(2) 0.3028(3) 0.31221(12)
C19 C 0.2915(2) 0.2338(4) 0.38373(13)
H7 H 0.3228(2) 0.3183(4) 0.39916(13)
C20 C 0.2729(2) 0.1199(4) 0.41279(13)
H8 H 0.2915(2) 0.1260(4) 0.44819(13)
C21 C 0.2275(2) -0.0024(3) 0.39030(13)
H9 H 0.2142(2) -0.0802(3) 0.41024(13)
C22 C 0.2011(2) -0.0124(3) 0.33849(12)
H10 H 0.1704(2) -0.0975(3) 0.32323(12)
C23 C 0.0053(2) 0.0710(3) 0.25894(11)
C24 C -0.0229(2) 0.1902(4) 0.28268(12)
H11 H 0.0105(2) 0.2791(4) 0.28087(12)
C25 C -0.1004(3) 0.1796(4) 0.30918(14)
H12 H -0.1205(3) 0.2617(4) 0.32509(14)
C26 C -0.1481(3) 0.0511(5) 0.31247(13)
H13 H -0.2012(3) 0.0446(5) 0.33053(13)
C27 C -0.1192(3) -0.0685(4) 0.28968(13)
H14 H -0.1517(3) -0.1577(4) 0.29229(13)
C28 C -0.0417(2) -0.0583(4) 0.26268(12)
H15 H -0.0216(2) -0.1406(4) 0.24691(12)
C29 C -0.0524(2) 0.0504(4) 0.15391(11)
C30 C -0.1370(3) 0.1327(4) 0.15868(13)
H16 H -0.1264(3) 0.2237(4) 0.17433(13)
C31 C -0.2353(3) 0.0846(6) 0.14119(14)
H17 H -0.2920(3) 0.1434(6) 0.14361(14)
C32 C -0.2512(3) -0.0479(6) 0.1203(2)
H18 H -0.3194(3) -0.0812(6) 0.1086(2)
C33 C -0.1693(4) -0.1352(4) 0.11590(13)
H19 H -0.1812(4) -0.2276(4) 0.10143(13)
C34 C -0.0686(3) -0.0845(4) 0.13321(12)
H20 H -0.0118(3) -0.1431(4) 0.13067(12)
C35 C 0.0231(2) 0.2277(3) 0.06054(11)
C36 C -0.0051(2) 0.3515(3) 0.09141(13)
H21 H -0.0629(9) 0.4046(12) 0.0714(3)
H22 H 0.0540(5) 0.4154(11) 0.1011(6)
H23 H -0.0244(14) 0.3138(3) 0.1214(4)
C37 C -0.0715(2) 0.1340(3) 0.03950(12)
H24 H -0.1193(7) 0.1872(7) 0.0137(5)
H25 H -0.1057(8) 0.1084(16) 0.0665(2)
H26 H -0.0497(3) 0.0468(9) 0.0249(6)
C38 C 0.0523(2) 0.2954(3) 0.01401(12)
H27 H -0.0045(5) 0.3551(15) -0.0036(4)
H28 H 0.0660(13) 0.2196(3) -0.0083(3)
H29 H 0.1138(8) 0.3545(14) 0.02450(13)
C39 C 0.3843(2) 0.0614(3) 0.06733(12)
C40 C 0.3389(3) 0.0506(4) 0.01083(13)
H30 H 0.3932(4) 0.0240(23) -0.0065(2)
H31 H 0.3099(15) 0.1432(7) -0.0017(2)
H32 H 0.2849(12) -0.0222(16) 0.00470(14)
C41 C 0.4620(2) 0.1856(3) 0.07509(13)
H33 H 0.4862(11) 0.2034(14) 0.11093(13)
H34 H 0.4287(5) 0.2719(6) 0.0589(6)
H35 H 0.5203(7) 0.1605(9) 0.0604(6)
C42 C 0.4343(2) -0.0849(3) 0.08228(13)
H36 H 0.4573(14) -0.0896(9) 0.11870(14)
H37 H 0.4933(10) -0.0975(9) 0.0667(6)
H38 H 0.3841(5) -0.1609(3) 0.0710(7)