data_2000431
_journal_name_full  'Acta Cryst.'
_journal_year  1992
_journal_volume  C48
_journal_page_first  1948
_journal_page_last  1951
loop_
_publ_author_name
 'Marsh, R.E.'
 'Schaefer, W.P.'
 'Widdowson, K.L.'
 'Myers, A.G.'
_chemical_formula_sum  'C22 H29 N1 O3 Si1'
_chemical_formula_weight  383.56
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21'
_symmetry_space_group_name_Hall  ?
_cell_length_a  6.550(3)
_cell_length_b  17.318(6)
_cell_length_c  20.129(6)
_cell_angle_alpha  90.
_cell_angle_beta  98.83(3)
_cell_angle_gamma  90.
_cell_volume  2256.2(14)
_cell_formula_units_Z  4
_exptl_crystal_density_diffrn  1.13
_exptl_crystal_density_meas  ?
_exptl_crystal_F_000  824
_exptl_absorpt_coefficient_mu  0.118
_diffrn_radiation_type  Mo
_diffrn_radiation_wavelength  0.71073
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 Si1 .1888(2) .7000 .04990(10)
        .0466(2)
 O1 .2660(3) .69910(10)
       .13150(10)
          .0490(6)
 O2 .2264(3) .61730(10)
       .01480(10)
          .0486(6)
 O3 .6582(4) .56510(10)
       .10420(10)
          .0558(7)
 N1 .3504(4) .5263(2) .13020(10)
          .0440(8)
 C1 .4679(5) .7070(2) .1687(2) .0501(9)
 C2 .4632(7) .7648(2) .2244(2) .0650(13)
 C3 .6129(9) .8189(3) .2387(2) .1050(18)
 C4 .6066(16) .8698(4) .2915(4) .165(3)
 C5 .4527(19) .8653(5) .3302(4) .162(4)
 C6 .3041(12) .8135(4) .3160(3) .137(3)
 C7 .3085(8) .7612(3) .2627(2) .0896(15)
 C8 .5480(5) .6280(2) .1984(2) .0449(9)
 C9 .7761(5) .6350(2) .2299(2) .0621(11)
 C10 .5250(6) .5698(2) .1409(2) .0444(9)
 C11 .1937(5) .5268(2) .1751(2) .0603(11)
 C12 .2887(5) .4916(2) .0646(2) .0490(10)
 C13 .2100(7) .4088(2) .0685(2) .0789(14)
 C14 .1283(5) .5446(2) .0223(2) .0474(9)
 C15 .0504(6) .5115(2) -.0450(2) .0544(11)
 C16 -.1448(7) .4810(3) -.0594(2) .0775(14)
 C17 -.2136(10) .4484(3) -.1203(3) .1057(19)
 C18 -.0921(13) .4470(3) -.1694(3) .118(2)
 C19 .1040(10) .4785(3) -.1561(3) .1071(19)
 C20 .1730(7) .5102(3) -.0942(2) .0787(14)
 C21 -.0893(6) .7219(2) .0407(2) .0642(11)
 C22 .3345(6) .7696(2) .0065(2) .0623(11)
 Si3 .6077(2) .32830(10)
        .44110(10)
           .0616(3)
 O31 .7371(4) .4067(2) .46660(10)
           .0612(7)
 O32 .5214(3) .32820(10)
        .36080(10)
           .0555(6)
 O33 .4557(5) .5067(2) .32960(10)
           .0748(8)
 N31 .7576(5) .4487(2) .3193(2) .0576(9)
 C31 .6626(6) .4833(2) .4717(2) .0621(12)
 C32 .7378(8) .5144(2) .5411(2) .0683(13)
 C33 .6072(8) .5557(3) .5755(3) .0917(15)
 C34 .6787(12) .5876(3) .6380(3) .119(2)
 C35 .8773(13) .5773(4) .6666(3) .121(2)
 C36 1.0066(9) .5381(4) .6336(3) .112(2)
 C37 .9413(8) .5060(3) .5719(2) .0935(16)
 C38 .7318(7) .5339(2) .4164(2) .0735(13)
 C39 .6577(10) .6179(3) .4197(2) .127(2)
 C40 .6386(8) .4970(2) .3507(2) .0597(12)
 C41 .9786(6) .4372(3) .3405(2) .0820(14)
 C42 .6496(5) .3937(2) .2700(2) .0520(10)
 C43 .7508(6) .3864(2) .2066(2) .0649(11)
 C44 .6264(5) .3157(2) .3046(2) .0570(10)
 C45 .5060(7) .2596(2) .2569(2) .0558(11)
 C46 .3014(8) .2709(2) .2347(2) .0745(13)
 C47 .1904(8) .2233(3) .1876(2) .0915(15)
 C48 .2850(13) .1630(4) .1632(3) .123(2)
 C49 .4861(13) .1483(4) .1856(4) .132(2)
 C50 .5987(8) .1974(3) .2323(3) .0997(15)
 C51 .3732(7) .3199(3) .4806(2) .0900(14)
 C52 .7933(7) .2488(3) .4635(2) .0961(16)
 H1 .5585 .7243 .1393 ?
 H3 .7220 .8217 .2132 ?
 H4 .7100 .9073 .3009 ?
 H5 .4522 .8997 .3666 ?
 H6 .1957 .8116 .3415 ?
 H7 .2040 .7230 .2538 ?
 H8 .4724 .6120 .2327 ?
 H9a .8245 .5865 .2481 ?
 H9b .8558 .6502 .1965 ?
 H9c .7901 .6725 .2648 ?
 H11a .0844 .4926 .1579 ?
 H11b .2534 .5111 .2187 ?
 H11c .1390 .5778 .1769 ?
 H12 .4066 .4874 .0427 ?
 H13a .1725 .3888 .0248 ?
 H13b .3175 .3779 .0927 ?
 H13c .0945 .4084 .0918 ?
 H14 .0119 .5501 .0449 ?
 H16 -.2338 .4824 -.0263 ?
 H17 -.3472 .4268 -.1290 ?
 H18 -.1405 .4244 -.2115 ?
 H19 .1900 .4782 -.1899 ?
 H20 .3079 .5316 -.0856 ?
 H21a -.1461 .7235 -.0058 ?
 H21b -.1579 .6831 .0623 ?
 H21c -.1092 .7706 .0605 ?
 H22a .3203 .8199 .0243 ?
 H22b .4764 .7556 .0130 ?
 H22c .2820 .7696 -.0402 ?
 H31 .5152 .4834 .4657 ?
 H33 .4676 .5622 .5560 ?
 H34 .5877 .6166 .6604 ?
 H35 .9262 .5978 .7099 ?
 H36 1.1467 .5322 .6532 ?
 H37 1.0357 .4780 .5496 ?
 H38 .8781 .5361 .4215 ?
 H39a .7186 .6400 .4616 ?
 H39b .6996 .6465 .3840 ?
 H39c .5123 .6189 .4165 ?
 H41a 1.0293 .4009 .3115 ?
 H41b 1.0488 .4849 .3386 ?
 H41c 1.0022 .4180 .3853 ?
 H42 .5152 .4134 .2541 ?
 H43a .6751 .3501 .1765 ?
 H43b .7513 .4349 .1850 ?
 H43c .8888 .3683 .2184 ?
 H44 .7596 .2945 .3191 ?
 H46 .2331 .3131 .2524 ?
 H47 .0478 .2329 .1725 ?
 H48 .2098 .1308 .1302 ?
 H49 .5505 .1044 .1695 ?
 H50 .7398 .1877 .2471 ?
 H51a .3005 .2747 .4653 ?
 H51b .4108 .3182 .5281 ?
 H51c .2875 .3640 .4688 ?
 H52a .8411 .2498 .5104 ?
 H52b .7265 .2008 .4518 ?
 H52c .9065 .2547 .4397 ?