#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000161.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_2000161
_journal_name_full 'Acta Cryst. C'
_journal_year   1991
_journal_volume  47
_journal_page_first  2700
_journal_page_last  2702
loop_
_publ_author_name
 'Sakai, Y.'
 'Kojima, Y.'
 'Ohashi, Y.'
 'Morihira, K.'
 'Furukawa, T.'
 'Horiguchi, Y.'
 'Kuwajima, I.'
_chemical_formula_sum  'C27 H42 O5 Si1'
_chemical_formula_weight  474.71
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_cell_length_a  9.389(5)
_cell_length_b  35.542(7)
_cell_length_c  8.899(4)
_cell_angle_alpha  90
_cell_angle_beta  114.25(3)
_cell_angle_gamma  90
_cell_volume  2707(2)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.164
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  1032
_exptl_absorpt_coefficient_mu  0.114
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71069
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
 Si .35300(10)
 .19574(3) .54520(10)
 O1 .5393(2) .08087(6) .5377(3)
 O2 .2462(2) .16427(5) .4119(3)
 O3 .2819(3) .02323(7) .1231(3)
 O4 -.1970(3) .06654(6) .2490(3)
 O5 -.0971(2) .11552(6) .5019(3)
 C1 .1354(4) .06320(10)    .6076(4)
 C2 .2649(4) .04130(10)    .6919(4)
 C3 .4002(4) .04620(10)    .6684(4)
 C4 .4064(3) .07398(8) .5633(4)
 C5 .3014(4) .12948(8) .3748(4)
 C6 .2389(4) .12400(10)    .1843(4)
 C7 .3136(4) .08900(10)    .1476(5)
 C8 .2255(4) .05310(10)    .1387(4)
 C9 .0780(4) .05461(9) .1660(4)
 C10 .0058(3) .08792(8) .1532(3)
 C11 -.1071(4) .09642(9) .2314(4)
 C12 -.0079(4) .11320(10)   .4056(4)
 C13 .0602(4) .12178(9) .0836(4)
 C14 .1401(3) .09128(8) .5012(3)
 C15 .2780(3) .09761(8) .4784(3)
 C16 .0422(4) .01790(10)  .2272(5)
 C17 -.0196(5) .15960(10)   .0808(5)
 C18 .0217(6) .11400(10)  -.1005(5)
 C19 -.3207(4) .05650(10)   .0952(5)
 C20 -.2141(5) .14320(10)   .4479(5)
 C21 .6577(5) .05310(10)  .5860(8)
 C22 .2030(5) .22590(10)  .5733(6)
 C23 .2616(8) .2590(2) .6879(9)
 C24 .4710(5) .22270(10)  .4512(6)
 C25 .3758(7) .2412(2) .2891(8)
 C26 .4939(5) .17470(10)  .7405(5)
 C27 .4253(7) .15780(10)  .8516(6)
 H11 .037(4) .0590(8) .617(4)
 H21 .259(4) .0230(9) .761(4)
 H31 .481(4) .0323(8) .722(4)
 H51 .410(3) .1313(7) .412(3)
 H61 .274(3) .1467(8) .152(4)
 H71 .420(4) .0847(8) .237(4)
 H72 .319(3) .0930(9) .041(4)
 H121 .018(3) .1365(7) .387(3)
 H171 -.011(4) .1696(9) .190(4)
 H172 -.137(4) .1588(8) .006(4)
 H173 .023(3) .1785(9) .040(4)
 H181 .052(4) .0900(10)    -.118(4)
 H182 .056(5) .1340(10)    -.145(5)
 H183 -.096(5) .1140(10)  -.167(5)
 H211 .735(5) .0600(10)    .546(5)
 H212 .618(5) .0300(10)    .542(5)
 H213 .708(5) .0490(10)    .709(6)
 H111 -.1799 .1165 .1642
 H161 -.0574 .0205 .2430
 H162 .0297 -.0023 .1454
 H163 .1292 .0114 .3352
 H191 -.3919 .0787 .0500
 H192 -.2769 .0487 .0153
 H193 -.3823 .0352 .1126
 H201 -.1663 .1683 .4508
 H202 -.2894 .1373 .3317
 H203 -.2717 .1432 .5205
 H221 .1343 .2363 .4633
 H222 .1415 .2097 .6156
 H231 .3338 .2495 .8037
 H232 .3254 .2763 .6511
 H233 .1745 .2730 .6972
 H241 .5307 .2428 .5300
 H242 .5434 .2049 .4323
 H251 .2993 .2600 .3028
 H252 .4433 .2552 .2464
 H253 .3117 .2221 .2051
 H261 .5526 .1544 .7114
 H262 .5685 .1947 .8045
 H271 .3658 .1771 .8825
 H272 .3505 .1367 .7899
 H273 .5093 .1469 .9519