#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2000499.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_2000499
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  2090
_journal_page_last  2092
loop_
_publ_author_name
 'Schaefer, W.P.'
 'Subramanian, V.'
 'Myers, A.G.'
_chemical_formula_sum  'C19 H29 N1 O3 Si1'
_chemical_formula_weight  347.53
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 1 21 1'
_symmetry_space_group_name_Hall  'P 2y1'
_cell_length_a  6.562(4)
_cell_length_b  20.473(11)
_cell_length_c  15.202(6)
_cell_angle_alpha  90.
_cell_angle_beta  94.73
_cell_angle_gamma  90.
_cell_volume  2035.3(18)
_cell_formula_units_Z  4
_cell_measurement_reflns_used  25
_cell_measurement_theta_min  14
_cell_measurement_theta_max  16
_cell_measurement_temperature  293
_exptl_crystal_description  ?
_exptl_crystal_colour  ?
_exptl_crystal_size_max  0.65
_exptl_crystal_size_mid  0.35
_exptl_crystal_size_min  0.18
_exptl_crystal_size_rad  ?
_exptl_crystal_density_diffrn  1.13
_exptl_crystal_density_meas  ?
_exptl_absorpt_coefficient_mu  0.125
_exptl_absorpt_correction_type  'none'
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_diffrn_radiation_type  'MoK\a'
_diffrn_radiation_wavelength  0.71073
_diffrn_measurement_device  'Enraf-Nonius CAD-4'
_diffrn_measurement_method  '\w'
_diffrn_reflns_number  7473
_diffrn_reflns_av_R_equivalents  0.026
_diffrn_reflns_theta_max  25
_diffrn_reflns_limit_h_min  -7
_diffrn_reflns_limit_h_max  7
_diffrn_reflns_limit_k_min  -24
_diffrn_reflns_limit_k_max  24
_diffrn_reflns_limit_l_min  0
_diffrn_reflns_limit_l_max  18
_diffrn_standards_number  3
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time  150
_diffrn_standards_decay_%  'slight linear decay'
_reflns_number_total  3685
_reflns_number_observed  3685
_reflns_observed_criterion  ?
_refine_ls_structure_factor_coef  Fsqd
loop_
_refine_ls_R_factor_obs
 '0.043 for F~o~^2^>0'
 '0.034 for F~o~^2^>3\s(F~o~^2^)'
_refine_ls_wR_factor_obs  0.05
_refine_ls_goodness_of_fit_obs  1.72
_refine_ls_number_reflns  3685
_refine_ls_number_parameters  432
_refine_ls_hydrogen_treatment  'noref'
_refine_ls_weighting_scheme  '1/[\s^2^(F~o~^2^)+(0.014I)^2^]'
_refine_ls_shift/esd_max  0.01
_refine_diff_density_max  0.19
_refine_diff_density_min  -0.19
_refine_ls_extinction_method  ?
_refine_ls_extinction_coef  ?
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Sia .8192(2) .5709 .22860(10)
        .0480(2)
 O1a .8906(3) .63840(10)
        .1832(2) .0479{6)
 O2a .8445(4) .50840(10)
        .1626(2) .0506(6)
 C1a .7693(5) .6772(2) .1200(2) .0432(8)
 C2a .7234(6) .7420(2) .1616(2) .0521(9)
 C3a .8751(7) .7767(2) .2091(3) .0728(12)
 C4a .8357(10) .8370(3) .2444(4) .0998(17)
 C5a .6416(12) .8636(3) .2314(4) .1039(19)
 C6a .4920(9) .8302(3) .1847(4) .1000(17)
 C7a .5299(7) .7698(2) .1495(3) .0762(13)
 C8a .8889(5) .6864(2) .0381(2) .0447(8)
 C9a .7724(6) .7268(2) -.0332(2) .0622(10)
 Na .9627(4) .62440(10)
       .0035(2) .0392(6)
 C10a 1.1854(5) .6178(2) .0095(2) .0522(9)
 C11a .8283(5) .5798(2) -.0321(2) .0414(8)
 O3a .6415(3) .58790(10)
        -.0300(2) .0586(7)
 C12a .9030(5) .5187(2) -.0757(2) .0434(8)
 C13a .7700(6) .5051(2) -.1603(3) .0609(10)
 C14a .8975(6) .4602(2) -.0114(3) .0546(10)
 C15a 1.0609(6) .4611(2) .0626(3) .0523(10)
 C16a 1.2705(7) .4359(2) .0445(3) .0811(13)
 C17a 1.0295(6) .4844(2) .1412(3) .0533(10)
 C18a .5445(6) .5720(2) .2467(3) .0799(12)
 C19a .9895(7) .5606(2) .3304(3) .0705(11)
 Sib .19390(10)
     .72990(10)
        .49650(10)
           .0421(2)
 O1b .2820(3) .66530(10)
        .54990(10)
           .0423(5)
 O2b .2422(3) .79650(10)
        .5547(2) .0492(6)
 C1b .1829(4) .6315(2) .6176(2) .0371(7)
 C2b .1220(5) .5642(2) .5847(2) .0417(7)
 C3b .2651(6) .5238(2) .5515(3) .0611(10)
 C4b .2135(8) .4604(2) .5254(3) .0773(13)
 C5b .0176(9) .4381(2) .5319(3) .0833(16)
 C6b -.1246(8) .4777(2) .5634(4) .0882(15)
 C7b -.0724(6) .5405(2) .5903(3) .0675(11)
 C8b .3321(4) .6274(2) .7002(2) .0387(7)
 C9b .2464(6) .5896(2) .7750(2) .0546(9)
 Nb .4128(3) .69160(10)
       .7301(2) .0358(6)
 C10b .6341(5) .6988(2) .7282(2) .0451(8)
 C11b .2842(5) .7366(2) .7591(2) .0406(7)
 O3b .0980(3) .72670(10)
        .7558(2) .0591(7)
 C12b .3670(5) .8013(2) .7979(2) .0458(8)
 C13b .2527(6) .8191(2) .8777(3) .0656(11)
 C14b .3402(6) .8541(2) .7260(3) .0554(10)
 C15b .4870(5) .8482(2) .6558(3) .0512(9)
 C16b .7008(6) .8737(2) .6771(3) .0732(12)
 C17b .4357(5) .8206(2) .5791(2) .0495(9)
 C18b -.0888(5) .7296(2) .4781(3) .0633(10)
 C19b .3273(6) .7321(2) .3951(2) .0647(10)
 H1a .6424 .6563 .1026 ?
 H2a 1.0103 .7588 .2177 ?
 H3a .9402 .8610 .2773 ?
 H4a .6138 .9048 .2532 ?
 H5a .3572 .8483 .1765 ?
 H6a .4223 .7466 .1172 ?
 H7a 1.0051 .7115 .0577 ?
 H8a .8535 .7308 -.0819 ?
 H9a .7452 .7686 -.0106 ?
 H10a .6479 .7054 -.0515 ?
 H11a 1.2211 .5768 -.0137 ?
 H12a 1.2371 .6206 .0698 ?
 H13a 1.2425 .6519 -.0229 ?
 H14a 1.0399 .5249 -.0898 ?
 H15a .8185 .4666 -.1870 ?
 H16a .7791 .5409 -.1994 ?
 H17a .6333 .4991 -.1470 ?
 H18a .7694 .4605 .0132 ?
 H19a .9124 .4213 -.0438 ?
 H20a 1.3585 .4393 .0970 ?
 H21a 1.3213 .4615 -.0006 ?
 H22a 1.2583 .3918 .0266 ?
 H23a 1.1406 .4848 .1858 ?
 H24a .4674 .5769 .1917 ?
 H25a .5180 .6066 .2849 ?
 H26a .5099 .5314 .2727 ?
 H27a 1.1274 .5608 .3165 ?
 H28a .9595 .5204 .3578 ?
 H29a .9677 .5956 .3699 ?
 H1b .0632 .6539 .6317 ?
 H2b .4009 .5397 .5452 ?
 H3b .3170 .4324 .5049 ?
 H4b -.0184 .3946 .5143 ?
 H5b -.2616 .4621 .5651 ?
 H6b -.1733 .5674 .6134 ?
 H7b .4449 .6033 .6820 ?
 H8b .3450 .5887 .8243 ?
 H9b .2154 .5463 .7561 ?
 H10b .1256 .6104 .7911 ?
 H11b .6745 .7412 .7485 ?
 H12b .6712 .6931 .6695 ?
 H13b .7020 .6669 .7655 ?
 H14b .5091 .7979 .8163 ?
 H15b .3034 .8592 .9012 ?
 H16b .2712 .7856 .9201 ?
 H17b .1111 .8235 .8589 ?
 H18b .2035 .8504 .6990 ?
 H19b .3563 .8954 .7537 ?
 H20b .7777 .8676 .6278 ?
 H21b .7621 .8510 .7266 ?
 H22b .6937 .9191 .6903 ?
 H23b .5375 .8167 .5379 ?
 H24b .4711 .7323 .4099 ?
 H25b .2893 .7702 .3623 ?
 H26b .2918 .6945 .3604 ?
 H27b -.1461 .7281 .5329 ?
 H28b -.1302 .6916 .4443 ?
 H29b -.1327 .7673 .4462 ?