data_5000396
_chemical_formula_sum 'C47 H48 O1'
_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 22.8785(5)
_cell_length_b 12.4546(3)
_cell_length_c 25.6155(5)
_cell_angle_alpha 90
_cell_angle_beta 93.510(1)
_cell_angle_gamma 90
_cell_formula_units_Z 8
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
O 0.68
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
O1 O 0.04512(5) 0.70626(12) 0.01946(5)
C1 C 0.11248(7) 0.6744(2) 0.09891(7)
C2 C 0.08789(8) 0.7290(2) 0.14890(6)
C3 C 0.03085(8) 0.7050(2) 0.14799(7)
H1 H 0.00559(8) 0.7298(2) 0.17349(7)
C4 C 0.01054(7) 0.6345(2) 0.10243(6)
C5 C 0.04515(7) 0.5275(2) 0.11120(6)
C6 C 0.02603(7) 0.4240(2) 0.12148(6)
C7 C 0.06657(8) 0.3389(2) 0.12108(7)
C8 C 0.12601(7) 0.3597(2) 0.11614(7)
C9 C 0.14677(7) 0.4655(2) 0.11191(6)
C10 C 0.10613(7) 0.5503(2) 0.10773(6)
C11 C 0.05377(8) 0.6794(2) 0.06415(7)
C12 C 0.16268(8) 0.7269(2) 0.06853(7)
C13 C 0.22349(8) 0.7344(2) 0.09781(7)
H2 H 0.2502(2) 0.7740(9) 0.0764(2)
H3 H 0.2388(2) 0.6619(2) 0.1046(4)
H4 H 0.22004(12) 0.7720(9) 0.1311(2)
C14 C 0.14477(9) 0.8433(2) 0.05340(8)
H5 H 0.1779(2) 0.8799(4) 0.0386(5)
H6 H 0.1336(5) 0.8819(4) 0.08461(12)
H7 H 0.1115(4) 0.8417(2) 0.0274(4)
C15 C 0.17035(9) 0.6641(2) 0.01746(7)
H8 H 0.2082(3) 0.6824(8) 0.0038(3)
H9 H 0.1387(3) 0.6831(8) -0.0084(2)
H10 H 0.1690(6) 0.5868(2) 0.02459(12)
C16 C 0.12030(8) 0.7831(2) 0.19629(7)
C17 C 0.14777(10) 0.8921(2) 0.18483(8)
H11 H 0.1785(4) 0.8825(2) 0.1602(4)
H12 H 0.1648(6) 0.9232(6) 0.21745(12)
H13 H 0.11757(15) 0.9404(4) 0.1695(5)
C18 C 0.16632(9) 0.7064(2) 0.22059(8)
H14 H 0.1959(4) 0.6919(9) 0.1954(2)
H15 H 0.14749(14) 0.6389(5) 0.2299(5)
H16 H 0.1851(4) 0.7390(5) 0.2521(3)
C19 C 0.07665(9) 0.8049(2) 0.23851(7)
H17 H 0.0588(5) 0.7371(2) 0.2487(4)
H18 H 0.0460(4) 0.8539(9) 0.2246(2)
H19 H 0.0973(2) 0.8375(11) 0.2692(2)
C20 C -0.05507(7) 0.6459(2) 0.08210(7)
C21 C -0.09991(8) 0.6199(2) 0.12262(8)
H20 H -0.1374(2) 0.6539(9) 0.1122(3)
H21 H -0.0857(3) 0.6472(10) 0.15696(14)
H22 H -0.1052(4) 0.5419(2) 0.1246(4)
C22 C -0.06787(8) 0.5765(2) 0.03331(7)
H23 H -0.10947(14) 0.5822(8) 0.0220(3)
H24 H -0.0583(5) 0.5015(2) 0.04154(15)
H25 H -0.0441(4) 0.6015(7) 0.0052(2)
C23 C -0.06590(9) 0.7650(2) 0.06829(8)
H26 H -0.1049(2) 0.7731(2) 0.0508(4)
H27 H -0.0363(3) 0.7896(3) 0.0450(4)
H28 H -0.0634(6) 0.8080(2) 0.10038(9)
C24 C -0.03303(7) 0.3981(2) 0.14019(7)
C25 C -0.07363(8) 0.3338(2) 0.11225(7)
H29 H -0.06618(8) 0.3102(2) 0.07802(7)
C26 C -0.12491(9) 0.3044(2) 0.13442(9)
H30 H -0.15274(9) 0.2611(2) 0.11511(9)
C27 C -0.13601(10) 0.3372(2) 0.18409(10)
H31 H -0.17137(10) 0.3165(2) 0.19892(10)
C28 C -0.09595(9) 0.3999(2) 0.21234(8)
H32 H -0.10337(9) 0.4221(2) 0.24678(8)
C29 C -0.04470(8) 0.4303(2) 0.19025(7)
H33 H -0.01716(8) 0.4739(2) 0.20972(7)
C30 C 0.04622(8) 0.2260(2) 0.12657(7)
C31 C 0.03989(10) 0.1607(2) 0.08288(9)
H34 H 0.0500(1) 0.1878(2) 0.04996(9)
C32 C 0.01916(11) 0.0569(2) 0.08617(12)
H35 H 0.01524(11) 0.0134(2) 0.05571(12)
C33 C 0.00432(12) 0.0170(2) 0.13307(14)
H36 H -0.00969(12) -0.0545(2) 0.13559(14)
C34 C 0.00979(13) 0.0804(2) 0.17608(12)
H37 H -0.00118(13) 0.0531(2) 0.20870(12)
C35 C 0.03091(10) 0.1835(2) 0.17344(9)
H38 H 0.03497(10) 0.2259(2) 0.20428(9)
C36 C 0.16779(8) 0.2668(2) 0.11863(7)
C37 C 0.18623(10) 0.2197(2) 0.07360(9)
H39 H 0.17337(10) 0.2480(2) 0.04044(9)
C38 C 0.22345(11) 0.1310(2) 0.07631(12)
H40 H 0.23573(11) 0.0994(2) 0.04506(12)
C39 C 0.24221(10) 0.0898(2) 0.12338(14)
H41 H 0.26734(10) 0.0290(2) 0.12511(14)
C40 C 0.22493(10) 0.1356(2) 0.16809(11)
H42 H 0.23853(10) 0.1073(2) 0.20106(11)
C41 C 0.18785(9) 0.2230(2) 0.16597(9)
H43 H 0.17587(9) 0.2535(2) 0.19757(9)
C42 C 0.21242(8) 0.4778(2) 0.11589(8)
C43 C 0.24611(9) 0.4627(2) 0.07295(9)
H44 H 0.22742(9) 0.4452(2) 0.03991(9)
C44 C 0.30617(10) 0.4728(2) 0.07780(12)
H45 H 0.32857(10) 0.4632(2) 0.04813(12)
C45 C 0.33359(11) 0.4969(2) 0.12535(15)
H46 H 0.37484(11) 0.5066(2) 0.12834(15)
C46 C 0.30161(10) 0.5069(2) 0.16874(11)
H47 H 0.32083(10) 0.5214(2) 0.20191(11)
C47 C 0.24098(9) 0.4958(2) 0.16401(9)
H48 H 0.21908(9) 0.5006(2) 0.19426(9)