#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2202600.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_2202600
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2003
_journal_volume  59
_journal_page_first  o1079
_journal_page_last  o1081
_publ_section_title
;
(2R,4S)-3-N-(Fluoren-9-ylmethoxycarbonyl)-4-methyl-2-nonyloxazolidin-5-one
;
loop_
_publ_author_name
  'Hughes, Andrew B.'
  'Mackay, Maureen F.'
  'Marianne Sleebs'
_chemical_formula_moiety  'C28 H35 N O4'
_chemical_formula_sum  'C28 H35 N O4'
_chemical_formula_iupac  'C28 H35 N O4'
_chemical_formula_weight  449.59
_chemical_melting_point  350
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21'
_symmetry_space_group_name_Hall  'P 2yb'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y+1/2, -z'
_cell_length_a  5.1400(10)
_cell_length_b  15.575(3)
_cell_length_c  16.050(3)
_cell_angle_alpha  90.00
_cell_angle_beta  96.995(3)
_cell_angle_gamma  90.00
_cell_volume  1275.3(4)
_cell_formula_units_Z  2
_cell_measurement_temperature  292(2)
_exptl_crystal_density_diffrn  1.171
_diffrn_ambient_temperature  292(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
  O1 -0.4890(4) 0.63848(16) 0.14978(14) 0.0831(6) Uani d . 1 . . O
  C2 -0.2736(5) 0.6970(2) 0.16129(19) 0.0701(7) Uani d . 1 . . C
  H2 -0.3367 0.7548 0.1722 0.084 Uiso calc R 1 . . H
  N3 -0.1156(5) 0.66390(17) 0.23598(15) 0.0724(6) Uani d . 1 . . N
  C4 -0.1751(6) 0.5742(2) 0.2495(2) 0.0802(8) Uani d . 1 . . C
  H4 -0.0426 0.5373 0.2287 0.096 Uiso calc R 1 . . H
  C5 -0.4337(7) 0.5664(3) 0.1932(2) 0.0840(9) Uani d . 1 . . C
  O5 -0.5803(6) 0.5066(2) 0.1863(2) 0.1187(10) Uani d . 1 . . O
  C6 -0.2075(8) 0.5507(3) 0.3388(3) 0.1027(12) Uani d . 1 . . C
  H6A -0.0413 0.5549 0.3730 0.154 Uiso calc R 1 . . H
  H6B -0.2721 0.4930 0.3405 0.154 Uiso calc R 1 . . H
  H6C -0.3299 0.5893 0.3597 0.154 Uiso calc R 1 . . H
  C7 -0.1360(6) 0.6977(2) 0.08408(19) 0.0700(7) Uani d . 1 . . C
  H7A -0.0912 0.6392 0.0708 0.084 Uiso calc R 1 . . H
  H7B 0.0262 0.7297 0.0959 0.084 Uiso calc R 1 . . H
  C8 -0.2964(6) 0.7367(2) 0.0085(2) 0.0761(8) Uani d . 1 . . C
  H8A -0.4611 0.7058 -0.0023 0.091 Uiso calc R 1 . . H
  H8B -0.3365 0.7958 0.0211 0.091 Uiso calc R 1 . . H
  C9 -0.1625(7) 0.7347(3) -0.0684(2) 0.0884(10) Uani d . 1 . . C
  H9A -0.1280 0.6753 -0.0817 0.106 Uiso calc R 1 . . H
  H9B 0.0053 0.7634 -0.0565 0.106 Uiso calc R 1 . . H
  C10 -0.3130(7) 0.7761(3) -0.1449(2) 0.0874(9) Uani d . 1 . . C
  H10A -0.4846 0.7495 -0.1550 0.105 Uiso calc R 1 . . H
  H10B -0.3391 0.8362 -0.1327 0.105 Uiso calc R 1 . . H
  C11 -0.1852(8) 0.7699(4) -0.2226(2) 0.1066(13) Uani d . 1 . . C
  H11A -0.0116 0.7948 -0.2112 0.128 Uiso calc R 1 . . H
  H11B -0.1626 0.7095 -0.2346 0.128 Uiso calc R 1 . . H
  C12 -0.3181(9) 0.8107(3) -0.2989(2) 0.0971(11) Uani d . 1 . . C
  H12A -0.3306 0.8718 -0.2887 0.117 Uiso calc R 1 . . H
  H12B -0.4953 0.7883 -0.3091 0.117 Uiso calc R 1 . . H
  C13 -0.1900(8) 0.7981(4) -0.3759(2) 0.1059(12) Uani d . 1 . . C
  H13A -0.0114 0.8189 -0.3641 0.127 Uiso calc R 1 . . H
  H13B -0.1799 0.7368 -0.3855 0.127 Uiso calc R 1 . . H
  C14 -0.3006(9) 0.8364(5) -0.4528(3) 0.1256(18) Uani d . 1 . . C
  H14A -0.3081 0.8980 -0.4442 0.151 Uiso calc R 1 . . H
  H14B -0.4796 0.8162 -0.4651 0.151 Uiso calc R 1 . . H
  C15 -0.1665(10) 0.8209(5) -0.5273(3) 0.1304(19) Uani d . 1 . . C
  H15A 0.0189 0.8286 -0.5129 0.196 Uiso calc R 1 . . H
  H15B -0.2298 0.8607 -0.5708 0.196 Uiso calc R 1 . . H
  H15C -0.2009 0.7633 -0.5469 0.196 Uiso calc R 1 . . H
  C16 0.0843(6) 0.7071(2) 0.27956(17) 0.0667(7) Uani d . 1 . . C
  O16 0.2400(5) 0.67758(16) 0.33395(14) 0.0842(6) Uani d . 1 . . O
  O17 0.0848(4) 0.78926(14) 0.25331(13) 0.0767(6) Uani d . 1 . . O
  C18 0.2716(6) 0.8441(2) 0.30146(19) 0.0710(7) Uani d . 1 . . C
  H18A 0.4483 0.8274 0.2931 0.085 Uiso calc R 1 . . H
  H18B 0.2538 0.8390 0.3607 0.085 Uiso calc R 1 . . H
  C19 0.2209(6) 0.9358(2) 0.2730(2) 0.0716(7) Uani d . 1 . . C
  H19 0.0345 0.9495 0.2722 0.086 Uiso calc R 1 . . H
  C20 0.3848(6) 0.99656(19) 0.3316(2) 0.0731(7) Uani d . 1 . . C
  C21 0.3834(7) 1.0102(2) 0.4160(2) 0.0840(9) Uani d . 1 . . C
  H21 0.2649 0.9812 0.4452 0.101 Uiso calc R 1 . . H
  C22 0.5594(8) 1.0675(3) 0.4570(3) 0.0953(10) Uani d . 1 . . C
  H22 0.5595 1.0768 0.5143 0.114 Uiso calc R 1 . . H
  C23 0.7307(9) 1.1098(3) 0.4152(3) 0.1011(12) Uani d . 1 . . C
  H23 0.8485 1.1478 0.4442 0.121 Uiso calc R 1 . . H
  C24 0.7357(8) 1.0982(3) 0.3307(3) 0.0982(11) Uani d . 1 . . C
  H24 0.8552 1.1279 0.3024 0.118 Uiso calc R 1 . . H
  C25 0.5585(6) 1.04125(19) 0.2882(2) 0.0745(8) Uani d . 1 . . C
  C26 0.5114(6) 1.0164(2) 0.1989(2) 0.0780(8) Uani d . 1 . . C
  C27 0.6283(9) 1.0427(3) 0.1309(3) 0.1006(12) Uani d . 1 . . C
  H27 0.7650 1.0821 0.1378 0.121 Uiso calc R 1 . . H
  C28 0.5441(10) 1.0111(3) 0.0535(3) 0.1097(14) Uani d . 1 . . C
  H28 0.6245 1.0289 0.0076 0.132 Uiso calc R 1 . . H
  C29 0.3386(11) 0.9523(3) 0.0421(2) 0.1074(14) Uani d . 1 . . C
  H29 0.2807 0.9315 -0.0112 0.129 Uiso calc R 1 . . H
  C30 0.2220(8) 0.9252(2) 0.1100(2) 0.0901(10) Uani d . 1 . . C
  H30 0.0848 0.8859 0.1027 0.108 Uiso calc R 1 . . H
  C31 0.3084(6) 0.9561(2) 0.1888(2) 0.0723(8) Uani d . 1 . . C
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 0.0674(11) 0.1033(18) 0.0771(12) -0.0100(12) 0.0032(10) -0.0045(12)
  C2 0.0631(15) 0.0742(17) 0.0710(17) 0.0013(13) -0.0005(13) -0.0051(14)
  N3 0.0755(14) 0.0694(14) 0.0695(14) -0.0071(12) -0.0024(11) 0.0066(11)
  C4 0.0782(18) 0.0666(17) 0.096(2) -0.0030(15) 0.0087(16) 0.0034(16)
  C5 0.077(2) 0.088(2) 0.087(2) -0.0146(18) 0.0116(16) -0.0108(18)
  O5 0.1108(19) 0.116(2) 0.128(2) -0.0465(19) 0.0076(17) -0.0058(18)
  C6 0.105(3) 0.098(3) 0.102(3) -0.013(2) -0.001(2) 0.031(2)
  C7 0.0639(14) 0.0751(17) 0.0694(16) 0.0048(14) 0.0011(12) -0.0009(14)
  C8 0.0748(17) 0.0811(19) 0.0709(18) 0.0102(15) 0.0028(14) -0.0022(15)
  C9 0.0814(19) 0.110(3) 0.0728(19) 0.0128(19) 0.0050(16) 0.0055(18)
  C10 0.097(2) 0.089(2) 0.077(2) 0.0184(18) 0.0095(17) 0.0056(17)
  C11 0.096(2) 0.145(4) 0.080(2) 0.019(3) 0.0107(19) 0.011(2)
  C12 0.107(3) 0.107(3) 0.077(2) 0.017(2) 0.0085(19) 0.0080(19)
  C13 0.098(2) 0.133(4) 0.085(2) 0.013(3) 0.0011(19) 0.006(2)
  C14 0.102(3) 0.187(5) 0.087(3) 0.020(3) 0.005(2) 0.028(3)
  C15 0.110(3) 0.195(6) 0.086(3) 0.020(3) 0.011(2) 0.025(3)
  C16 0.0716(17) 0.0676(17) 0.0598(14) -0.0037(13) 0.0035(13) 0.0009(12)
  O16 0.0853(13) 0.0801(14) 0.0816(14) -0.0003(11) -0.0132(11) 0.0085(11)
  O17 0.0826(12) 0.0717(12) 0.0705(12) -0.0099(10) -0.0115(9) 0.0047(10)
  C18 0.0751(17) 0.0737(18) 0.0617(15) -0.0082(14) -0.0020(13) -0.0003(13)
  C19 0.0646(15) 0.0734(18) 0.0756(18) 0.0027(14) 0.0037(13) -0.0034(14)
  C20 0.0674(16) 0.0637(16) 0.087(2) 0.0063(14) 0.0036(14) -0.0016(14)
  C21 0.092(2) 0.081(2) 0.079(2) -0.0017(18) 0.0104(16) -0.0073(17)
  C22 0.113(3) 0.082(2) 0.088(2) -0.001(2) 0.000(2) -0.0141(18)
  C23 0.107(3) 0.082(2) 0.109(3) -0.011(2) -0.007(2) -0.017(2)
  C24 0.098(2) 0.077(2) 0.119(3) -0.0120(19) 0.010(2) 0.010(2)
  C25 0.0771(18) 0.0569(15) 0.088(2) 0.0033(13) 0.0042(15) 0.0031(14)
  C26 0.0803(19) 0.0676(17) 0.086(2) 0.0152(15) 0.0103(15) 0.0182(15)
  C27 0.103(3) 0.103(3) 0.098(3) 0.007(2) 0.020(2) 0.022(2)
  C28 0.139(4) 0.103(3) 0.092(3) 0.024(3) 0.033(3) 0.032(2)
  C29 0.152(4) 0.101(3) 0.066(2) 0.035(3) 0.004(2) 0.0103(19)
  C30 0.105(2) 0.083(2) 0.078(2) 0.0088(19) -0.0055(18) 0.0055(17)
  C31 0.0758(17) 0.0654(16) 0.0739(18) 0.0133(15) 0.0020(14) 0.0058(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
  O1 C5 . 1.333(5) ?
  O1 C2 . 1.429(4) ?
  C2 N3 . 1.458(4) ?
  C2 C7 . 1.500(4) ?
  C2 H2 . 0.9800 ?
  N3 C16 . 1.350(4) ?
  N3 C4 . 1.453(4) ?
  C4 C6 . 1.507(5) ?
  C4 C5 . 1.518(5) ?
  C4 H4 . 0.9800 ?
  C5 O5 . 1.195(5) ?
  C6 H6A . 0.9600 ?
  C6 H6B . 0.9600 ?
  C6 H6C . 0.9600 ?
  C7 C8 . 1.508(4) ?
  C7 H7A . 0.9700 ?
  C7 H7B . 0.9700 ?
  C8 C9 . 1.486(5) ?
  C8 H8A . 0.9700 ?
  C8 H8B . 0.9700 ?
  C9 C10 . 1.513(5) ?
  C9 H9A . 0.9700 ?
  C9 H9B . 0.9700 ?
  C10 C11 . 1.482(5) ?
  C10 H10A . 0.9700 ?
  C10 H10B . 0.9700 ?
  C11 C12 . 1.473(5) ?
  C11 H11A . 0.9700 ?
  C11 H11B . 0.9700 ?
  C12 C13 . 1.482(6) ?
  C12 H12A . 0.9700 ?
  C12 H12B . 0.9700 ?
  C13 C14 . 1.425(6) ?
  C13 H13A . 0.9700 ?
  C13 H13B . 0.9700 ?
  C14 C15 . 1.471(7) ?
  C14 H14A . 0.9700 ?
  C14 H14B . 0.9700 ?
  C15 H15A . 0.9600 ?
  C15 H15B . 0.9600 ?
  C15 H15C . 0.9600 ?
  C16 O16 . 1.202(3) ?
  C16 O17 . 1.347(4) ?
  O17 C18 . 1.439(4) ?
  C18 C19 . 1.512(5) ?
  C18 H18A . 0.9700 ?
  C18 H18B . 0.9700 ?
  C19 C31 . 1.508(5) ?
  C19 C20 . 1.516(4) ?
  C19 H19 . 0.9800 ?
  C20 C21 . 1.372(5) ?
  C20 C25 . 1.385(5) ?
  C21 C22 . 1.379(5) ?
  C21 H21 . 0.9300 ?
  C22 C23 . 1.343(6) ?
  C22 H22 . 0.9300 ?
  C23 C24 . 1.372(6) ?
  C23 H23 . 0.9300 ?
  C24 C25 . 1.389(5) ?
  C24 H24 . 0.9300 ?
  C25 C26 . 1.477(5) ?
  C26 C27 . 1.371(5) ?
  C26 C31 . 1.398(5) ?
  C27 C28 . 1.356(6) ?
  C27 H27 . 0.9300 ?
  C28 C29 . 1.394(7) ?
  C28 H28 . 0.9300 ?
  C29 C30 . 1.372(6) ?
  C29 H29 . 0.9300 ?
  C30 C31 . 1.376(5) ?
  C30 H30 . 0.9300 ?