data_2011822
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  309
_journal_page_last  310
_publ_section_title
;
Methyl 2,3,6-tri-O-benzoyl-4-deoxy-4-methoxyamino-\a-D-glucopyranoside
;
loop_
_publ_author_name
  'Renaudet, Olivier'
  'Dumy, Pascal'
  'Philouze, Christian'
_chemical_formula_moiety  'C29 H29 N1 O9'
_chemical_formula_sum  'C29 H29 N1 O9'
_chemical_formula_weight  535.55
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21'
loop_
_symmetry_equiv_pos_as_xyz
  '  +x,  +y,  +z'
  '  -x,1/2+y,  -z'
_cell_length_a  8.026(2)
_cell_length_b  12.359(3)
_cell_length_c  14.056(3)
_cell_angle_alpha  90
_cell_angle_beta  96.63(2)
_cell_angle_gamma  90
_cell_volume  1384.9(5)
_cell_formula_units_Z  2
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.284
_diffrn_ambient_temperature  293
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_calc_attached_atom
_atom_site_refinement_flags
_atom_site_occupancy
  O1  .58140(10)
  .2268  .54634(9)  .0658(4) Uani d ? . 1.000
  O2  .3181(2)  .16880(10)
  .41260(9)  .0611(4) Uani d ? . 1.000
  O3  .08500(10)
  .32430(10)
  .46179(8)  .0557(3) Uani d ? . 1.000
  O4  .2644(2)  .50960(10)
  .60530(10)
  .0839(5) Uani d ? . 1.000
  O5  .4243(2)  .18940(10)
  .67208(9)  .0659(4) Uani d ? . 1.000
  O6  .2258(2)  .25900(10)
  .81754(9)  .0793(5) Uani d ? . 1.000
  O7  .2091(2)  .00410(10)
  .41920(10)
  .0867(5) Uani d ? . 1.000
  O8  .2176(2)  .4078(2)  .34990(10)
  .0841(5) Uani d ? . 1.000
  O9  .2720(3)  .3301(2)  .96200(10)
  .1271(7) Uani d ? . 1.000
  N4  .1551(2)  .4329(2)  .64450(10)
  .0695(5) Uani d ? . 1.000
  C1  .4522(3)  .1654(2)  .57710(10)
  .0629(6) Uani d ? . 1.000
  C2  .2928(2)  .1888(2)  .51070(10)
  .0557(5) Uani d ? . 1.000
  C3  .2428(2)  .3051(2)  .52020(10)
  .0524(5) Uani d ? . 1.000
  C4  .2167(2)  .3263(2)  .62380(10)
  .0560(5) Uani d ? . 1.000
  C5  .3794(2)  .2999(2)  .68700(10)
  .0610(6) Uani d ? . 1.000
  C6  .3719(3)  .3175(2)  .79150(10)
  .0757(7) Uani d ? . 1.000
  C7  .7427(3)  .2016(2)  .5953(2)  .0921(8) Uani d ? . 1.000
  C8  .2657(2)  .0737(2)  .37380(10)
  .0587(6) Uani d ? . 1.000
  C9  .2868(2)  .0672(2)  .27160(10)
  .0585(5) Uani d ? . 1.000
  C10  .3621(3)  .1485(2)  .22500(10)
  .0774(7) Uani d ? . 1.000
  C11  .3851(3)  .1371(2)  .1300(2)  .1010(9) Uani d ? . 1.000
  C12  .3311(3)  .0472(3)  .0814(2)  .1070(10)
  Uani d ? . 1.000
  C13  .2542(3)  -.0332(2)  .1261(2)  .0966(9) Uani d ? . 1.000
  C14  .2326(3)  -.0244(2)  .2212(2)  .0777(7) Uani d ? . 1.000
  C15  .0904(2)  .3769(2)  .37790(10)
  .0601(6) Uani d ? . 1.000
  C16  -.0787(2)  .3888(2)  .32380(10)
  .0581(5) Uani d ? . 1.000
  C17  -.2247(2)  .3869(2)  .36650(10)
  .0639(6) Uani d ? . 1.000
  C18  -.3773(3)  .3985(2)  .3117(2)  .0797(7) Uani d ? . 1.000
  C19  -.3855(3)  .4098(3)  .2156(2)  .1110(10)
  Uani d ? . 1.000
  C20  -.2420(4)  .4085(4)  .1723(2)  .1460(10)
  Uani d ? . 1.000
  C21  -.0898(3)  .4006(3)  .2265(2)  .1120(10)
  Uani d ? . 1.000
  C22  .2431(3)  .6103(2)  .6494(2)  .1023(9) Uani d ? . 1.000
  C23  .1875(3)  .2736(2)  .9056(2)  .0825(8) Uani d ? . 1.000
  C24  .0341(3)  .2145(2)  .9234(2)  .0852(8) Uani d ? . 1.000
  C25  -.0146(4)  .2180(3) 1.0146(2)  .1340(10)
  Uani d ? . 1.000
  C26  -.1551(4)  .1584(4) 1.0330(2)  .1560(10)
  Uani d ? . 1.000
  C27  -.2445(4)  .1023(4)  .9636(3)  .1590(10)
  Uani d ? . 1.000
  C28  -.1994(4)  .1008(4)  .8735(3)  .1600(10)
  Uani d ? . 1.000
  C29  -.0588(4)  .1556(3)  .8544(2)  .1170(10)
  Uani d ? . 1.000
  H1  .4757  .0817  .5807  .076 Uiso c ? . 1.000
  H2  .1931  .1395  .5280  .067 Uiso c ? . 1.000
  H3  .3239  .3557  .4990  .063 Uiso c ? . 1.000
  H4  .1294  .2687  .6433  .067 Uiso c ? . 1.000
  H5  .4737  .3507  .6684  .075 Uiso c ? . 1.000
  H6  .4761  .2774  .8276  .094 Uiso c ? . 1.000
  H7  .3454  .3972  .8044  .094 Uiso c ? . 1.000
  H8  .7486  .2259  .6600  .111 Uiso c ? . 1.000
  H9  .7603  .1254  .5954  .111 Uiso c ? . 1.000
  H10  .8288  .2360  .5647  .111 Uiso c ? . 1.000
  H11  .3969  .2129  .2587  .092 Uiso c ? . 1.000
  H12  .4387  .1934  .0980  .121 Uiso c ? . 1.000
  H13  .3455  .0398  .0154  .126 Uiso c ? . 1.000
  H14  .2136  -.0962  .0914  .114 Uiso c ? . 1.000
  H15  .1786  -.0817  .2532  .092 Uiso c ? . 1.000
  H16  -.2182  .3771  .4342  .076 Uiso c ? . 1.000
  H17  -.4779  .3979  .3419  .093 Uiso c ? . 1.000
  H18  -.4903  .4196  .1778  .131 Uiso c ? . 1.000
  H19  -.2442  .4158  .1040  .179 Uiso c ? . 1.000
  H20  .0127  .4042  .1976  .132 Uiso c ? . 1.000
  H21  .0552  .4392  .6074  .084 Uiso c ? . 1.000
  H22  .2562  .6016  .7177  .122 Uiso c ? . 1.000
  H23  .3200  .6613  .6314  .122 Uiso c ? . 1.000
  H24  .1290  .6372  .6311  .122 Uiso c ? . 1.000
  H25  .0492  .2634 1.0630  .158 Uiso c ? . 1.000
  H26  -.1833  .1623 1.0979  .190 Uiso c ? . 1.000
  H27  -.3395  .0654  .9797  .189 Uiso c ? . 1.000
  H28  -.2594  .0575  .8260  .190 Uiso c ? . 1.000
  H29  -.0208  .1535  .7927  .139 Uiso c ? . 1.000
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
  O1  .0539(7)  .0685(9)  .0760(8)  .0034(7)  .0113(6)  .0104(7)
  O2  .0713(8)  .0544(8)  .0601(7)  -.0096(7)  .0177(6)  -.0067(6)
  O3  .0473(6)  .0663(8)  .0545(7)  -.0050(6)  .0096(5)  .0073(7)
  O4  .0990(10)
  .0622(9)  .0950(10)
  .0017(9)  .0331(8)  -.0067(8)
  O5  .0741(8)  .0618(8)  .0616(7)  -.0012(7)  .0065(6)  .0104(7)
  O6  .0895(9)  .0930(10)
  .0578(7)  -.0114(9)  .0181(7)  -.0032(8)
  O7  .1180(10)
  .0729(9)  .0685(9)  -.0392(9)  .0081(8)  .0021(8)
  O8  .0592(8)  .1080(10)
  .0881(9)  -.0051(8)  .0239(7)  .0355(9)
  O9  .167(2)  .148(2)  .0700(10)
  -.026(2)  .0270(10)
  -.0180(10)
  N4  .0620(10)
  .0720(10)
  .0770(10)
  .0025(9)  .0186(8)  -.0020(10)
  C1  .0730(10)
  .0530(10)
  .0650(10)
  .0040(10)
  .0130(10)
  .0040(10)
  C2  .0580(10)
  .0530(10)
  .0570(10)
  -.0077(9)  .0121(8)  -.0004(9)
  C3  .0465(9)  .0560(10)
  .0550(10)
  -.0027(9)  .0073(8)  .0008(9)
  C4  .0530(10)
  .0590(10)
  .0580(10)
  -.0030(10)
  .0134(8)  .0000(10)
  C5  .0610(10)
  .0610(10)
  .0600(10)
  -.0030(10)
  .0072(9)  .0020(10)
  C6  .0790(10)
  .088(2)  .0600(10)
  -.0090(10)
  .0060(10)
  -.0010(10)
  C7  .0640(10)
  .105(2)  .105(2)  .0160(10)
  .0010(10)
  .011(2)
  C8  .0510(10)
  .0540(10)
  .0690(10)
  -.0050(10)
  -.0025(9)  -.0010(10)
  C9  .0530(10)
  .0620(10)
  .0590(10)
  .0010(10)
  .0000(9)  -.0040(10)
  C10  .0840(10)
  .086(2)  .0630(10)
  -.0190(10)
  .0100(10)
  -.0070(10)
  C11  .123(2)  .112(2)  .0710(10)
  -.027(2)  .0220(10)
  .0010(10)
  C12  .113(2)  .144(3)  .0660(10)
  -.018(2)  .0160(10)
  -.023(2)
  C13  .108(2)  .103(2)  .0770(10)
  -.018(2)  .0090(10)
  -.0310(10)
  C14  .0810(10)
  .074(2)  .0770(10)
  -.0100(10)
  .0060(10)
  -.0110(10)
  C15  .0610(10)
  .0590(10)
  .0620(10)
  .0030(10)
  .0168(9)  .0070(10)
  C16  .0600(10)
  .0560(10)
  .0600(10)
  .0050(10)
  .0110(8)  .0090(10)
  C17  .0600(10)
  .0620(10)
  .0710(10)
  .0000(10)
  .0114(9)  -.0120(10)
  C18  .0570(10)
  .0700(10)
  .112(2)  .0060(10)
  .0050(10)
  -.0130(10)
  C19  .091(2)  .114(2)  .118(2)  .026(2)  -.026(2)  .019(2)
  C20  .120(2)  .229(4)  .085(2)  .022(3)  -.010(2)  .066(2)
  C21  .085(2)  .176(3)  .0760(10)
  .022(2)  .0110(10)
  .050(2)
  C22  .105(2)  .069(2)  .133(2)  -.004(2)  .016(2)  -.023(2)
  C23  .105(2)  .088(2)  .0550(10)
  .0120(10)
  .0130(10)
  .0040(10)
  C24  .101(2)  .088(2)  .0720(10)
  .0260(10)
  .0300(10)
  .0210(10)
  C25  .133(2)  .184(3)  .094(2)  .012(2)  .0570(10)
  .010(2)
  C26  .139(2)  .232(5)  .111(2)  .018(3)  .070(2)  .032(3)
  C27  .149(2)  .178(4)  .167(3)  -.007(3)  .086(2)  .026(3)
  C28  .147(2)  .184(4)  .163(3)  -.053(3)  .076(2)  -.003(3)
  C29  .123(2)  .133(3)  .104(2)  -.020(2)  .045(2)  .003(2)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  O1 C1 . . 1.393(2) yes
  O2 C2 . . 1.438(2) yes
  O3 C3 . . 1.447(2) yes
  O4 N4 . . 1.443(2) yes
  O5 C1 . . 1.411(2) yes
  O5 C5 . . 1.433(2) yes
  O6 C6 . . 1.459(3) yes
  C1 C2 . . 1.521(3) yes
  N4 C4 . . 1.449(3) yes
  C2 C3 . . 1.503(3) yes
  C3 C4 . . 1.517(2) yes
  C4 C5 . . 1.528(3) yes
  C5 C6 . . 1.493(3) yes
  O1 C7 . . 1.429(2) no
  O2 C8 . . 1.343(2) no
  O3 C15 . . 1.352(2) no
  O4 C22 . . 1.410(3) no
  O6 C23 . . 1.321(2) no
  O7 C8 . . 1.192(2) no
  O8 C15 . . 1.198(2) no
  O9 C23 . . 1.206(3) no
  N4 H21 . .  .91 no
  C1 H1 . . 1.05 no
  C2 H2 . . 1.06 no
  C3 H3 . .  .97 no
  C4 H4 . . 1.06 no
  C5 H5 . . 1.04 no
  C6 H6 . . 1.05 no
  C6 H7 . . 1.03 no
  C7 H8 . .  .95 no
  C7 H9 . .  .95 no
  C7 H10 . .  .95 no
  C8 C9 . . 1.468(2) no
  C9 C10 . . 1.377(3) no
  C9 C14 . . 1.379(3) no
  C10 C11 . . 1.376(3) no
  C10 H11 . .  .95 no
  C11 C12 . . 1.349(4) no
  C11 H12 . .  .96 no
  C12 C13 . . 1.361(4) no
  C12 H13 . .  .95 no
  C13 C14 . . 1.372(3) no
  C13 H14 . .  .96 no
  C14 H15 . .  .97 no
  C15 C16 . . 1.485(2) no
  C16 C17 . . 1.377(3) no
  C16 C21 . . 1.368(3) no
  C17 C18 . . 1.377(3) no
  C17 H16 . .  .95 no
  C18 C19 . . 1.353(3) no
  C18 H17 . .  .95 no
  C19 C20 . . 1.363(4) no
  C19 H18 . .  .95 no
  C20 C21 . . 1.366(4) no
  C20 H19 . .  .96 no
  C21 H20 . .  .96 no
  C22 H22 . .  .96 no
  C22 H23 . .  .94 no
  C22 H24 . .  .98 no
  C23 C24 . . 1.477(3) no
  C24 C25 . . 1.382(3) no
  C24 C29 . . 1.364(4) no
  C25 C26 . . 1.397(5) no
  C25 H25 . .  .98 no
  C26 C27 . . 1.335(5) no
  C26 H26 . .  .97 no
  C27 C28 . . 1.357(4) no
  C27 H27 . .  .94 no
  C28 C29 . . 1.369(4) no
  C28 H28 . .  .94 no
  C29 H29 . .  .95 no