#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2005548.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_2005548
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    	C52
_journal_page_first    	2558
_journal_page_last    	2561
_publ_section_title    	
;
(2aS,3S,6S,7S,7bR)-7-[(Dimethylphenyl)silyl]-2-oxo-6-
[(1R,2S)-2-phenylcyclohexyloxy]-2a,3,6,7,7a,7b-hexahydro-2H-1,4,5-trioxa-4a-
azacyclopenta[cd]indene-3-carboxylic Acid 1-Methylethyl Ester
;
_chemical_formula_moiety    	'C31 H39 N1 O7 Si1'
_chemical_formula_sum    	'C31 H39 N1 O7 Si1'
_chemical_formula_structural    	'C31 H39 N1 O7 Si1'
_chemical_formula_analytical    	'C31 H39 N1 O7 Si1'
_chemical_formula_weight    	565.72
_symmetry_cell_setting    	orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x+1/2, -y, z+1/2'
    '-x, y+1/2, -z+1/2'
    'x+1/2, -y+1/2, -z'
_symmetry_space_group_name_H-M    	'P 21 21 21'
_cell_length_a    	9.9730(10)
_cell_length_b    	10.7410(10)
_cell_length_c    	27.527(3)
_cell_angle_alpha    	90.00
_cell_angle_beta    	90.00
_cell_angle_gamma    	90.00
_cell_volume    	2948.7(5)
_cell_formula_units_Z    	4
_exptl_crystal_density_diffrn    	1.274
_cell_measurement_temperature    	198(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
    Si 1 0.2709(2) 0.9354(2) 0.85474(9) 0.0290(7)
    O1 1 0.5023(6) 0.4472(5) 0.9067(2) 0.034(2)
    C2 1 0.5536(9) 0.4917(8) 0.9532(3) 0.034(3)
    H2 1 0.4836(9) 0.4857(8) 0.9791(3) 0.041
    C2A 1 0.5924(9) 0.6275(8) 0.9436(3) 0.033(3)
    H2A 1 0.6904(9) 0.6421(8) 0.9488(3) 0.040
    C3 1 0.5086(11) 0.7185(9) 0.9714(4) 0.044(3)
    O4 1 0.4542(6) 0.8062(5) 0.9421(2) 0.034(2)
    C4A 1 0.4798(9) 0.7764(8) 0.8911(3) 0.027(2)
    H4A 1 0.5417(9) 0.8406(8) 0.8774(3) 0.033
    C5 1 0.3502(8) 0.7767(7) 0.8617(3) 0.025(2)
    H5 1 0.3764(8) 0.7506(7) 0.8282(3) 0.030
    C6 1 0.2575(9) 0.6731(7) 0.8807(3) 0.026(2)
    H6 1 0.1889(9) 0.7111(7) 0.9027(3) 0.032
    N7A 1 0.4546(7) 0.5490(7) 0.8801(2) 0.033(2)
    O7 1 0.3321(5) 0.5825(5) 0.9076(2) 0.030(2)
    C7B 1 0.5517(8) 0.6498(7) 0.8911(3) 0.025(2)
    H7B 1 0.6304(8) 0.6488(7) 0.8686(3) 0.030
    C8 1 0.6732(12) 0.4069(10) 0.9646(3) 0.037(3)
    O9 1 0.6257(6) 0.2938(6) 0.9744(2) 0.044(2)
    C10 1 0.7248(11) 0.1953(9) 0.9844(4) 0.049(3)
    H10 1 0.7928(11) 0.2262(9) 1.0082(4) 0.058
    C11 1 0.6429(11) 0.0902(10) 1.0072(4) 0.087(4)
    H11A 1 0.7023(17) 0.0204(30) 1.0151(26) 0.130
    H11B 1 0.5741(52) 0.0624(50) 0.9842(12) 0.130
    H11C 1 0.5998(64) 0.1204(23) 1.0370(16) 0.130
    C12 1 0.7921(11) 0.1559(9) 0.9394(4) 0.073(4)
    H12A 1 0.7247(12) 0.1319(62) 0.9152(9) 0.110
    H12B 1 0.8506(56) 0.0846(42) 0.9462(6) 0.110
    H12C 1 0.8460(56) 0.2249(23) 0.9266(14) 0.110
    O13 1 0.7883(7) 0.4377(6) 0.9638(2) 0.049(2)
    O14 1 0.4923(9) 0.7241(7) 1.0144(2) 0.068(3)
    C15 1 0.4049(8) 1.0380(8) 0.8276(3) 0.025(2)
    C16 1 0.4583(9) 1.1422(8) 0.8498(3) 0.038(3)
    H16 1 0.4262(9) 1.1662(8) 0.8809(3) 0.045
    C17 1 0.5575(10) 1.2125(9) 0.8277(3) 0.042(3)
    H17 1 0.5940(10) 1.2828(9) 0.8439(3) 0.050
    C18 1 0.6030(9) 1.1808(8) 0.7823(3) 0.035(3)
    H18 1 0.6712(9) 1.2294(8) 0.7675(3) 0.043
    C19 1 0.5520(9) 1.0803(8) 0.7581(3) 0.035(2)
    H19 1 0.5831(9) 1.0590(8) 0.7266(3) 0.043
    C20 1 0.4539(9) 1.0104(7) 0.7808(3) 0.030(2)
    H20 1 0.4178(9) 0.9407(7) 0.7641(3) 0.036
    C21 1 0.2137(9) 0.9946(8) 0.9144(3) 0.042(3)
    H21A 1 0.2917(9) 1.0159(45) 0.9344(7) 0.062
    H21B 1 0.1608(42) 0.9303(18) 0.9308(8) 0.062
    H21C 1 0.1583(43) 1.0689(28) 0.9096(3) 0.062
    C22 1 0.1331(8) 0.9228(8) 0.8100(3) 0.035(2)
    H22A 1 0.0896(32) 1.0040(13) 0.8063(13) 0.052
    H22B 1 0.0673(25) 0.8617(33) 0.8214(9) 0.052
    H22C 1 0.1695(10) 0.8960(43) 0.7786(5) 0.052
    O23 1 0.1924(5) 0.6218(5) 0.8407(2) 0.028(2)
    C24 1 0.1025(8) 0.5206(7) 0.8521(3) 0.028(2)
    H24 1 0.0803(8) 0.5238(7) 0.8875(3) 0.033
    C25 1 -0.0262(8) 0.5350(7) 0.8229(3) 0.025(2)
    H25 1 -0.0009(8) 0.5319(7) 0.7878(3) 0.031
    C26 1 -0.1200(9) 0.4257(8) 0.8324(3) 0.037(3)
    H26A 1 -0.2011(9) 0.4346(8) 0.8120(3) 0.044
    H26B 1 -0.1484(9) 0.4269(8) 0.8668(3) 0.044
    C27 1 -0.0527(10) 0.3005(8) 0.8212(3) 0.038(3)
    H27A 1 -0.1147(10) 0.2318(8) 0.8297(3) 0.045
    H27B 1 -0.0332(10) 0.2951(8) 0.7860(3) 0.045
    C28 1 0.0771(9) 0.2856(8) 0.8498(4) 0.041(3)
    H28A 1 0.1226(9) 0.2079(8) 0.8397(4) 0.049
    H28B 1 0.0565(9) 0.2793(8) 0.8849(4) 0.049
    C29 1 0.1709(9) 0.3970(7) 0.8410(3) 0.035(2)
    H29A 1 0.2515(9) 0.3883(7) 0.8618(3) 0.042
    H29B 1 0.2007(9) 0.3966(7) 0.8067(3) 0.042
    C30 1 -0.0974(8) 0.6573(8) 0.8312(3) 0.026(2)
    C31 1 -0.1685(10) 0.7125(10) 0.7935(3) 0.046(3)
    H31 1 -0.1738(10) 0.6705(10) 0.7632(3) 0.055
    C32 1 -0.2320(10) 0.8268(9) 0.7986(4) 0.046(3)
    H32 1 -0.2785(10) 0.8630(9) 0.7720(4) 0.056
    C33 1 -0.2267(9) 0.8859(8) 0.8422(4) 0.039(3)
    H33 1 -0.2680(9) 0.9651(8) 0.8459(4) 0.047
    C34 1 -0.1624(9) 0.8324(9) 0.8808(4) 0.040(3)
    H34 1 -0.1610(9) 0.8737(9) 0.9113(4) 0.048
    C35 1 -0.0988(9) 0.7175(9) 0.8755(3) 0.032(3)
    H35 1 -0.0559(9) 0.6802(9) 0.9027(3) 0.039