data_2008983
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_journal_page_first  1475
_journal_page_last  1479
_publ_section_title
;
Tricarbonylchromium complexes of four methyl
4,6-O-[(\h^6^-phenyl)-alkylidene]-\a-D-glucopyranosides.
;
loop_
_publ_author_name
  'Rickard, Clifton E. F.'
  'Singh, Yogendra'
  'Woodgate, Paul D.'
  'Zhao, Zhongde'
_chemical_formula_sum  'C22 H30 Cr O9 Si'
_chemical_formula_iupac  '[Cr (C19 H30 O6 Si) (C O)3]'
_chemical_formula_weight  518.55
_symmetry_cell_setting  Orthorhombic
_symmetry_space_group_name_H-M  'P 21 21 21'
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'
_cell_length_a  11.7885(2)
_cell_length_b  14.5002(3)
_cell_length_c  15.3639(2)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  2626.24(8)
_cell_formula_units_Z  4
_cell_measurement_temperature  203(2)
_exptl_crystal_density_diffrn  1.311
_diffrn_ambient_temperature  203(2)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Cr 0.78485(3) 0.53774(3) 0.79037(2) 0.03031(10) Uani d . 1 . . Cr
  Si 0.73715(7) 0.76108(5) 0.67566(5) 0.04146(18) Uani d . 1 . . Si
  O1 0.17666(15) 0.41353(15) 0.56144(13) 0.0476(5) Uani d . 1 . . O
  O2 0.31514(16) 0.30330(12) 0.46544(12) 0.0420(4) Uani d . 1 . . O
  O3 0.52808(14) 0.34436(12) 0.54832(11) 0.0355(4) Uani d . 1 . . O
  O4 0.51916(13) 0.50055(11) 0.66774(10) 0.0296(3) Uani d . 1 . . O
  O5 0.27881(17) 0.54658(12) 0.52298(12) 0.0462(4) Uani d . 1 . . O
  O6 0.44471(16) 0.64550(12) 0.70131(12) 0.0430(4) Uani d . 1 . . O
  O8 1.03200(18) 0.5712(2) 0.7599(2) 0.0873(9) Uani d . 1 . . O
  O9 0.77878(18) 0.46297(16) 0.60870(12) 0.0559(5) Uani d . 1 . . O
  O10 0.8420(3) 0.3460(2) 0.8506(3) 0.1213(15) Uani d . 1 . . O
  C1 0.2465(2) 0.4547(2) 0.49902(17) 0.0417(6) Uani d . 1 . . C
  H1A 0.2047 0.4574 0.4432 0.050 Uiso calc R 1 . . H
  C2 0.3511(2) 0.39430(17) 0.48659(15) 0.0348(5) Uani d . 1 . . C
  H2A 0.3957 0.4190 0.4372 0.042 Uiso calc R 1 . . H
  C3 0.42665(19) 0.39348(16) 0.56771(15) 0.0296(5) Uani d . 1 . . C
  H3A 0.3864 0.3636 0.6167 0.036 Uiso calc R 1 . . H
  C4 0.4521(2) 0.49329(16) 0.58970(15) 0.0308(5) Uani d . 1 . . C
  H4A 0.4948 0.5211 0.5409 0.037 Uiso calc R 1 . . H
  C5 0.3426(2) 0.54717(18) 0.60260(16) 0.0389(6) Uani d . 1 . . C
  H5A 0.2974 0.5185 0.6497 0.047 Uiso calc R 1 . . H
  C6 0.3704(3) 0.6462(2) 0.6264(2) 0.0526(8) Uani d . 1 . . C
  H6A 0.4078 0.6770 0.5774 0.063 Uiso calc R 1 . . H
  H6B 0.3006 0.6799 0.6400 0.063 Uiso calc R 1 . . H
  C7 0.5448(2) 0.59441(16) 0.68351(15) 0.0321(5) Uani d . 1 . . C
  H7A 0.5834 0.6208 0.6320 0.038 Uiso calc R 1 . . H
  C8 0.9374(2) 0.5591(2) 0.77215(19) 0.0519(8) Uani d . 1 . . C
  C9 0.7806(2) 0.49116(17) 0.67970(17) 0.0380(5) Uani d . 1 . . C
  C10 0.8213(3) 0.4206(3) 0.8284(2) 0.0690(10) Uani d . 1 . . C
  C11 0.62058(19) 0.60312(16) 0.76170(14) 0.0284(5) Uani d . 1 . . C
  C12 0.60440(19) 0.54110(18) 0.83128(15) 0.0329(5) Uani d . 1 . . C
  H12A 0.5567 0.4857 0.8221 0.039 Uiso calc R 1 . . H
  C13 0.6730(2) 0.54636(19) 0.90620(14) 0.0362(5) Uani d . 1 . . C
  H13A 0.6721 0.4953 0.9489 0.043 Uiso calc R 1 . . H
  C14 0.7550(2) 0.61664(19) 0.91344(15) 0.0377(6) Uani d . 1 . . C
  H14A 0.8118 0.6142 0.9608 0.045 Uiso calc R 1 . . H
  C15 0.7692(2) 0.67896(17) 0.84473(14) 0.0342(5) Uani d . 1 . . C
  H15A 0.8379 0.7183 0.8451 0.041 Uiso calc R 1 . . H
  C16 0.7042(2) 0.67498(16) 0.76625(14) 0.0304(5) Uani d . 1 . . C
  C17 0.0655(3) 0.4527(3) 0.5644(2) 0.0739(11) Uani d . 1 . . C
  H17A 0.0180 0.4165 0.6030 0.111 Uiso calc R 1 . . H
  H17B 0.0329 0.4525 0.5064 0.111 Uiso calc R 1 . . H
  H17C 0.0700 0.5155 0.5857 0.111 Uiso calc R 1 . . H
  C18 0.3686(4) 0.2645(3) 0.3933(3) 0.0880(15) Uani d . 1 . . C
  H18A 0.3399 0.2025 0.3840 0.132 Uiso calc R 1 . . H
  H18B 0.4498 0.2620 0.4034 0.132 Uiso calc R 1 . . H
  H18C 0.3533 0.3018 0.3422 0.132 Uiso calc R 1 . . H
  C19 0.5577(3) 0.2769(3) 0.6090(3) 0.0781(12) Uani d . 1 . . C
  H19A 0.6286 0.2483 0.5918 0.117 Uiso calc R 1 . . H
  H19B 0.4985 0.2305 0.6116 0.117 Uiso calc R 1 . . H
  H19C 0.5666 0.3051 0.6659 0.117 Uiso calc R 1 . . H
  C20 0.6095(3) 0.8347(2) 0.6545(2) 0.0621(9) Uani d . 1 . . C
  H20A 0.6231 0.8729 0.6037 0.093 Uiso calc R 1 . . H
  H20B 0.5953 0.8737 0.7046 0.093 Uiso calc R 1 . . H
  H20C 0.5442 0.7956 0.6442 0.093 Uiso calc R 1 . . H
  C21 0.8551(3) 0.8367(2) 0.7142(3) 0.0715(10) Uani d . 1 . . C
  H21A 0.8674 0.8859 0.6725 0.107 Uiso calc R 1 . . H
  H21B 0.9239 0.8005 0.7199 0.107 Uiso calc R 1 . . H
  H21C 0.8353 0.8630 0.7702 0.107 Uiso calc R 1 . . H
  C22 0.7845(4) 0.7030(2) 0.5734(2) 0.0697(10) Uani d . 1 . . C
  H22A 0.7947 0.7487 0.5280 0.105 Uiso calc R 1 . . H
  H22B 0.7276 0.6586 0.5553 0.105 Uiso calc R 1 . . H
  H22C 0.8558 0.6714 0.5838 0.105 Uiso calc R 1 . . H
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Cr 0.03397(18) 0.0355(2) 0.02143(16) 0.00281(16) 0.00025(15) -0.00227(15)
  Si 0.0566(5) 0.0315(3) 0.0363(4) -0.0053(3) 0.0066(3) 0.0024(3)
  O1 0.0329(9) 0.0620(13) 0.0479(11) 0.0047(9) -0.0087(8) -0.0033(10)
  O2 0.0490(11) 0.0395(10) 0.0375(10) -0.0121(8) -0.0009(8) -0.0072(8)
  O3 0.0331(9) 0.0367(9) 0.0367(9) 0.0007(7) 0.0076(7) -0.0027(7)
  O4 0.0344(8) 0.0298(8) 0.0244(8) 0.0007(6) -0.0079(7) -0.0014(6)
  O5 0.0568(11) 0.0388(9) 0.0430(10) 0.0064(10) -0.0284(9) -0.0018(8)
  O6 0.0492(10) 0.0376(9) 0.0423(10) 0.0120(8) -0.0199(9) -0.0110(8)
  O8 0.0370(12) 0.113(2) 0.112(2) -0.0085(12) 0.0101(12) -0.0587(18)
  O9 0.0598(12) 0.0717(14) 0.0361(10) 0.0083(12) 0.0021(9) -0.0252(10)
  O10 0.163(3) 0.080(2) 0.122(3) 0.058(2) 0.059(2) 0.057(2)
  C1 0.0435(14) 0.0456(14) 0.0359(12) -0.0015(12) -0.0171(10) -0.0016(11)
  C2 0.0409(13) 0.0366(13) 0.0270(11) -0.0092(11) -0.0043(10) -0.0007(10)
  C3 0.0308(11) 0.0311(12) 0.0270(11) -0.0013(9) 0.0012(9) 0.0012(9)
  C4 0.0337(12) 0.0352(13) 0.0237(11) -0.0009(9) -0.0073(9) 0.0001(9)
  C5 0.0427(13) 0.0388(14) 0.0350(12) 0.0082(11) -0.0190(11) -0.0039(11)
  C6 0.0628(18) 0.0391(15) 0.0559(18) 0.0161(13) -0.0351(15) -0.0105(13)
  C7 0.0404(13) 0.0295(12) 0.0263(11) -0.0015(10) -0.0048(9) 0.0005(9)
  C8 0.0413(15) 0.066(2) 0.0490(16) -0.0007(13) 0.0043(12) -0.0265(14)
  C9 0.0362(12) 0.0427(13) 0.0352(12) 0.0050(11) 0.0009(11) -0.0079(10)
  C10 0.082(2) 0.066(2) 0.0594(19) 0.0313(19) 0.0253(18) 0.0228(18)
  C11 0.0331(11) 0.0288(12) 0.0233(11) 0.0018(9) 0.0000(9) -0.0038(9)
  C12 0.0358(12) 0.0374(12) 0.0254(11) -0.0006(10) -0.0001(9) -0.0020(11)
  C13 0.0386(12) 0.0490(15) 0.0209(10) 0.0042(11) 0.0026(9) 0.0009(11)
  C14 0.0362(13) 0.0531(15) 0.0239(11) 0.0044(11) -0.0029(9) -0.0092(11)
  C15 0.0314(12) 0.0439(13) 0.0272(12) -0.0020(10) -0.0003(9) -0.0104(10)
  C16 0.0339(11) 0.0319(11) 0.0254(11) 0.0008(9) 0.0004(9) -0.0038(9)
  C17 0.0402(16) 0.110(3) 0.071(2) 0.0188(19) -0.0091(15) -0.012(2)
  C18 0.108(3) 0.059(2) 0.097(3) -0.029(2) 0.044(3) -0.044(2)
  C19 0.062(2) 0.071(2) 0.102(3) 0.0315(18) 0.031(2) 0.039(2)
  C20 0.082(2) 0.0441(17) 0.060(2) 0.0073(16) 0.0035(17) 0.0171(15)
  C21 0.081(2) 0.053(2) 0.081(2) -0.0293(18) 0.009(2) 0.0056(19)
  C22 0.108(3) 0.0571(19) 0.0442(17) -0.003(2) 0.0312(19) 0.0062(14)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Cr C9 . 1.830(3) ?
  Cr C8 . 1.846(3) ?
  Cr C10 . 1.847(3) ?
  Cr C11 . 2.201(2) ?
  Cr C12 . 2.219(2) ?
  Cr C13 . 2.219(2) ?
  Cr C15 . 2.219(2) ?
  Cr C16 . 2.237(2) ?
  Cr C14 . 2.238(2) ?
  Si C21 . 1.867(3) ?
  Si C22 . 1.868(3) ?
  Si C20 . 1.873(3) ?
  Si C16 . 1.910(2) ?
  O1 C1 . 1.398(3) ?
  O1 C17 . 1.429(4) ?
  O2 C18 . 1.395(4) ?
  O2 C2 . 1.424(3) ?
  O3 C19 . 1.395(4) ?
  O3 C3 . 1.423(3) ?
  O4 C7 . 1.415(3) ?
  O4 C4 . 1.440(3) ?
  O5 C1 . 1.434(3) ?
  O5 C5 . 1.436(3) ?
  O6 C7 . 1.420(3) ?
  O6 C6 . 1.446(3) ?
  O8 C8 . 1.145(4) ?
  O9 C9 . 1.165(3) ?
  O10 C10 . 1.160(4) ?
  C1 C2 . 1.524(4) ?
  C2 C3 . 1.532(3) ?
  C3 C4 . 1.516(3) ?
  C4 C5 . 1.521(3) ?
  C5 C6 . 1.518(4) ?
  C7 C11 . 1.502(3) ?
  C11 C12 . 1.410(3) ?
  C11 C16 . 1.436(3) ?
  C12 C13 . 1.409(3) ?
  C13 C14 . 1.409(4) ?
  C14 C15 . 1.400(4) ?
  C15 C16 . 1.430(3) ?