#------------------------------------------------------------------------------
#$Date: 2011-09-28 15:24:46 +0100 (Wed, 28 Sep 2011) $
#$Revision: 26848 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/03/2010354.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_2010354
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1995
_journal_volume 51
_journal_page_first  119
_journal_page_last  121
_symmetry_space_group_name_Hall  'P 2y1'
_symmetry_space_group_name_H-M   'P 1 21 1'
_[local]_cod_cif_authors_sg_H-M  'P 21'
loop_
_publ_author_name
  'Dey, I.'
  'Banerjee, A.'
_chemical_formula_sum            'C30 H50 O'
_[local]_cod_chemical_formula_sum_orig 'C30 H50 O1'
_chemical_formula_weight  426.70
_symmetry_cell_setting  monoclinic
_cell_length_a  7.8040(10)
_cell_length_b  11.754(2)
_cell_length_c  14.443(2)
_cell_angle_alpha  90.
_cell_angle_beta  103.57(2)
_cell_angle_gamma  90.
_cell_volume  1287.90(3)
_cell_formula_units_Z  2
_cell_measurement_temperature  300
_exptl_crystal_density_diffrn  1.10
_exptl_crystal_density_meas  1.12
_refine_ls_R_factor_obs  0.064
_refine_ls_wR_factor_obs  0.062
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  C1 -.1500(8) .1789 -.1120(4)
  C2 -.2914(7) .2532(8) -.1754(4)
  C3 -.2291(8) .2996(9) -.2588(4)
  C4 -.0544(7) .3623(7) -.2263(4)
  C5 .0917(7) .2858(7) -.1652(3)
  C6 .2474(7) .3629(7) -.1253(4)
  C7 .3772(7) .3246(7) -.0384(4)
  C8 .3394(6) .2381(7) .0284(4)
  C9 .1559(7) .1799(7) .0047(4)
  C10 .0258(6) .2425(6) -.0785(4)
  C11 .0707(7) .1859(7) .0921(4)
  C12 .1933(7) .1769(7) .1896(4)
  C13 .3455(6) .2646(7) .2051(4)
  C14 .4563(7) .2357(5) .1317(4)
  C15 .6079(7) .3207(8) .1469(4)
  C16 .7293(7) .3111(9) .2445(5)
  C17 .6454(7) .3102(8) .3304(4)
  C18 .4574(7) .2551(7) .3076(4)
  C19 .3622(8) .2816(8) .3890(4)
  C20 .3784(10) .3993(9) .4398(5)
  C21 .5629(12) .4416(9) .4532(5)
  C22 .6391(9) .4331(8) .3664(6)
  C23 -.0045(9) .4188(9) -.3137(5)
  C24 .1451(9) .1893(8) -.2250(5)
  C25 .1775(9) .0526(7) -.0192(5)
  C26 .5371(8) .1142(8) .1465(5)
  C27 .2616(7) .3835(7) .1812(4)
  C28 .7674(9) .2402(9) .4100(5)
  C29 .2482(12) .4871(10) .3886(6)
  C30 .3366(11) .3776(12) .5361(5)
  O .4445(5) .2104(6) -.0392(3)
  H1(1) -.192(6) .156(5) -.059(3)
  H1(2) -.121(8) .115(7) -.138(5)
  H2(1) -.315(6) .312(5) -.134(3)
  H2(2) -.408(8) .218(7) -.201(4)
  H3(1) -.222(8) .242(7) -.314(4)
  H3(2) -.314(8) .353(7) -.301(4)
  H4(1) -.072(6) .425(6) -.175(4)
  H6(1) .199(17) .418(14) -.166(9)
  H6(2) .304(9) .368(7) -.168(5)
  H7(1) .457(7) .387(6) -.018(4)
  H10(1) .001(5) .315(5) -.044(3)
  H11(1) -.027(8) .116(6) .087(4)
  H11(2) -.001(7) .257(5) .088(4)
  H12(1) .122(6) .186(5) .238(3)
  H12(2) .255(6) .092(4) .201(3)
  H15(1) .548(9) .404(7) .140(5)
  H15(2) .669(7) .303(5) .095(4)
  H16(1) .799(8) .243(6) .247(4)
  H16(2) .808(8) .381(7) .257(5)
  H18(1) .479(7) .174(6) .313(4)
  H19(1) .228(8) .268(6) .360(4)
  H19(2) .398(7) .220(6) .446(4)
  H21(1) .566(10) .532(9) .472(6)
  H21(2) .627(9) .402(7) .504(5)
  H22(1) .558(7) .491(6) .314(4)
  H22(2) .739(10) .464(8) .371(5)
  H23(1) .116(9) .444(6) -.289(4)
  H23(2) -.102(8) .463(6) -.351(4)
  H23(3) .029(8) .364(6) -.365(4)
  H24(1) .036(9) .136(6) -.252(5)
  H24(2) .246(8) .151(6) -.185(4)
  H24(3) .174(7) .217(6) -.286(4)
  H25(1) .248(10) .045(7) -.069(5)
  H25(2) .044(10) .021(8) -.053(5)
  H25(3) .233(12) .012(10) .048(6)
  H26(1) .620(7) .119(6) .214(4)
  H26(2) .612(9) .105(7) .100(4)
  H26(3) .423(7) .063(5) .136(4)
  H27(1) .370(9) .438(7) .213(5)
  H27(2) .155(5) .390(4) .219(3)
  H27(3) .206(8) .397(7) .115(5)
  H28(1) .716(6) .242(4) .467(3)
  H28(2) .897(9) .270(7) .437(5)
  H28(3) .799(8) .157(6) .384(4)
  H29(1) .295(11) .513(9) .319(6)
  H29(2) .245(9) .543(7) .439(5)
  H29(3) .094(10) .474(8) .368(5)
  H30(1) .353(10) .441(8) .575(5)
  H30(2) .416(8) .323(6) .570(4)
  H30(3) .203(10) .376(8) .527(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
  C2 C1 1.531(8) yes
  C2 C3 1.503(10) yes
  C10 C1 1.537(7) yes
  C10 C5 1.547(8) yes
  C10 C9 1.563(8) yes
  C5 C4 1.554(9) yes
  C5 C6 1.517(9) yes
  C5 C24 1.541(12) yes
  C4 C3 1.524(9) yes
  C4 C23 1.555(10) yes
  C9 C8 1.551(8) yes
  C9 C11 1.563(9) yes
  C9 C25 1.554(11) yes
  C8 C7 1.478(10) yes
  C8 C14 1.556(7) yes
  C16 C15 1.507(8) yes
  C19 C20 1.557(13) yes
  C20 C21 1.492(12) yes
  C8 O 1.452(7) yes
  C7 C6 1.486(8) yes
  C7 O 1.442(10) yes
  C11 C12 1.508(7) yes
  C12 C13 1.548(9) yes
  C13 C14 1.557(9) yes
  C13 C18 1.537(7) yes
  C13 C27 1.546(11) yes
  C14 C15 1.525(10) yes
  C14 C26 1.555(12) yes
  C18 C17 1.566(8) yes
  C18 C19 1.562(9) yes
  C17 C16 1.533(10) yes
  C17 C22 1.540(13) yes
  C17 C28 1.546(10) yes
  C20 C29 1.514(14) yes
  C20 C30 1.523(11) yes
  C21 C22 1.512(12) yes
_cod_database_code 2010354