#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000829.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_2000829
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1060
_journal_page_last  1063
loop_
_publ_author_name
 'Kaneko, F.'
 'Kobayashi, M.'
 'Kitagawa, Y.'
 'Matsuura, Y.'
 'Sato, K.'
 'Suzuki, M.'
_chemical_formula_sum  'C22 H42 O2'
_chemical_formula_weight  338.57
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_cell_length_a  5.4620(10)
_cell_length_b  5.1970(10)
_cell_length_c  44.160(10)
_cell_angle_alpha  91.200(10)
_cell_angle_beta  90.85(2)
_cell_angle_gamma  117.32(2)
_cell_volume  1113.0(5)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.01
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  380
_exptl_absorpt_coefficient_mu  0.44
_diffrn_radiation_type  Cu
_diffrn_radiation_wavelength  1.5418
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 C(1) .1961(6) -.1057(6) .02975(6)
 C(2) .3394(6) -.2025(7) .05240(7)
 C(3) .6054(6) .0325(7) .06648(7)
 C(4) .7137(6) -.0867(7) .09160(7)
 C(5) .9814(6) .1360(6) .10692(7)
 C(6) 1.0797(6) .0172(7) .13293(7)
 C(7) 1.3463(6) .2362(7) .14852(7)
 C(8) 1.4426(6) .1185(7) .17459(7)
 C(9) 1.7079(6) .3377(7) .19032(7)
 C(10) 1.8016(6) .2200(7) .21684(7)
 C(11) 2.0660(6) .4454(7) .23266(7)
 C(12) 2.1506(8) .3345(9) .26035(8)
 C(13) 2.4058(7) .5603(8) .27620(7)
 C(14) 2.4126(8) .7178(9) .30027(8)
 C(15) 2.1691(8) .6987(10) .31709(9)
 C(16) 2.1023(8) .5038(9) .34416(8)
 C(17) 1.8524(8) .4756(10) .36123(9)
 C(18) 1.7751(9) .2662(10) .38685(10)
 C(19) 1.5296(9) .2330(11) .40438(10)
 C(20) 1.4495(10) .0203(11) .42947(10)
 C(21) 1.2041(14) -.0066(15) .44707(14)
 C(22) 1.122(3) -.2247(19) .47174(18)
 O(1) .3018(4) .1341(5) .01877(5)
 O(2) -.0546(4) -.2998(5) .02303(5)
 H(1) .367(6) -.343(7) .0418(7)
 H(2) .206(6) -.294(7) .0681(7)
 H(3) .742(6) .119(6) .0513(6)
 H(4) .570(6) .176(7) .0753(6)
 H(5) .739(6) -.245(7) .0832(7)
 H(6) .580(6) -.167(6) .1075(6)
 H(7) 1.137(6) .208(6) .0916(6)
 H(8) .948(6) .298(6) .1146(6)
 H(9) 1.108(6) -.136(7) .1240(7)
 H(0) .935(6) -.061(6) .1480(6)
 H(11) 1.483(7) .308(7) .1330(7)
 H(12) 1.318(6) .392(7) .1567(6)
 H(13) 1.463(7) -.047(8) .1664(8)
 H(14) 1.301(6) .047(6) .1893(6)
 H(15) 1.856(6) .408(7) .1758(7)
 H(16) 1.669(6) .494(7) .1984(6)
 H(17) 1.831(7) .055(8) .2083(7)
 H(18) 1.646(7) .146(7) .2316(7)
 H(19) 2.209(7) .505(7) .2173(7)
 H(20) 2.035(6) .606(7) .2395(7)
 H(21) 2.164(9) .179(10) .2524(9)
 H(22) 1.995(7) .259(7) .2744(8)
 H(23) 2.609(8) .572(8) .2677(8)
 H(24) 2.580(8) .845(9) .3110(8)
 H(25) 2.193(10) .886(11) .3258(10)
 H(26) 1.999(8) .625(8) .3030(8)
 H(27) 2.074(8) .297(9) .3373(8)
 H(28) 2.272(7) .580(8) .3597(8)
 H(29) 1.883(8) .681(10) .3701(9)
 H(30) 1.687(8) .413(8) .3460(8)
 H(31) 1.753(8) .080(10) .3785(9)
 H(32) 1.930(9) .336(9) .4011(9)
 H(33) 1.585(8) .428(10) .4153(9)
 H(34) 1.362(9) .194(10) .3893(10)
 H(35) 1.423(9) -.184(11) .4212(10)
 H(36) 1.605(8) .059(9) .4441(9)
 H(37) 1.270(11) .185(13) .4592(11)
 H(38) 1.035(13) -.082(14) .4288(13)
 H(39) .946(15) .250(15) .4815(15)
 H(40) 1.309(15) -.196(18) .4810(16)
 H(41) 1.093(13) -.405(14) .4629(13)
 H(42) -.144(9) -.224(10) .0092(10)