#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2202351.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_2202351
_journal_name_full  'Acta Crystallographica, Section E'
_journal_year  2003
_journal_volume  59
_journal_page_first  o1257
_journal_page_last  o1258
_publ_section_title
;
Methyl 2(S)-(N-fluoren-9-ylmethoxycarbonylamino)-3-(2-pyridyl)propionate
;
loop_
_publ_author_name
  'Clegg, William'
  'Horsburgh, Lynne'
_chemical_formula_moiety  'C24 H22 N2 O4'
_chemical_formula_sum  'C24 H22 N2 O4'
_chemical_formula_iupac  'C24 H22 N2 O4'
_chemical_formula_weight  402.44
_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  5.524(4)
_cell_length_b  14.988(11)
_cell_length_c  23.557(18)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  1950(3)
_cell_formula_units_Z  4
_cell_measurement_temperature  173(2)
_exptl_crystal_density_diffrn  1.371
_diffrn_ambient_temperature  173(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
  C1 0.3623(8) 0.5721(4) 0.5524(2) 0.0315(14) Uani d . 1 . . C
  N1 0.4492(8) 0.6179(3) 0.50819(16) 0.0370(12) Uani d . 1 . . N
  C2 0.6059(10) 0.6832(4) 0.5197(2) 0.0479(16) Uani d . 1 . . C
  H2 0.6654 0.7176 0.4888 0.058 Uiso calc R 1 . . H
  C3 0.6875(9) 0.7044(4) 0.5736(2) 0.0466(16) Uani d . 1 . . C
  H3 0.8014 0.7509 0.5797 0.056 Uiso calc R 1 . . H
  C4 0.5957(10) 0.6547(4) 0.6180(2) 0.0525(18) Uani d . 1 . . C
  H4 0.6437 0.6671 0.6559 0.063 Uiso calc R 1 . . H
  C5 0.4364(9) 0.5880(4) 0.6069(2) 0.0435(16) Uani d . 1 . . C
  H5 0.3761 0.5523 0.6371 0.052 Uiso calc R 1 . . H
  C6 0.1889(8) 0.4990(4) 0.53975(17) 0.0330(14) Uani d . 1 . . C
  H6A 0.0228 0.5237 0.5411 0.040 Uiso calc R 1 . . H
  H6B 0.2016 0.4536 0.5701 0.040 Uiso calc R 1 . . H
  C7 0.2238(8) 0.4524(3) 0.48228(19) 0.0334(14) Uani d . 1 . . C
  H7 0.1217 0.3973 0.4837 0.040 Uiso calc R 1 . . H
  C8 0.1370(8) 0.5049(4) 0.4303(2) 0.0310(14) Uani d . 1 . . C
  O1 0.2444(6) 0.5094(3) 0.38623(13) 0.0479(11) Uani d . 1 . . O
  O2 -0.0756(5) 0.5433(2) 0.43985(12) 0.0369(10) Uani d . 1 . . O
  C9 -0.1820(8) 0.5855(4) 0.39104(19) 0.0436(15) Uani d . 1 . . C
  H9A -0.2013 0.5415 0.3606 0.065 Uiso calc R 1 . . H
  H9B -0.0766 0.6339 0.3780 0.065 Uiso calc R 1 . . H
  H9C -0.3408 0.6099 0.4013 0.065 Uiso calc R 1 . . H
  N2 0.4662(6) 0.4224(3) 0.47369(14) 0.0295(11) Uani d . 1 . . N
  H2N 0.5880 0.4576 0.4826 0.035 Uiso calc R 1 . . H
  C10 0.5101(9) 0.3413(4) 0.45225(18) 0.0274(14) Uani d . 1 . . C
  O3 0.3698(6) 0.2803(3) 0.44961(13) 0.0363(10) Uani d . 1 . . O
  O4 0.7398(5) 0.3359(2) 0.43328(12) 0.0320(9) Uani d . 1 . . O
  C11 0.8216(8) 0.2504(3) 0.41180(18) 0.0325(15) Uani d . 1 . . C
  H11A 0.6871 0.2068 0.4130 0.039 Uiso calc R 1 . . H
  H11B 0.9551 0.2275 0.4358 0.039 Uiso calc R 1 . . H
  C12 0.9088(8) 0.2619(3) 0.35102(17) 0.0274(14) Uani d . 1 . . C
  H12 1.0297 0.3115 0.3491 0.033 Uiso calc R 1 . . H
  C13 0.7100(9) 0.2773(4) 0.30720(19) 0.0309(14) Uani d . 1 . . C
  C14 0.7130(8) 0.2090(4) 0.26681(19) 0.0302(14) Uani d . 1 . . C
  C15 0.5458(9) 0.2071(4) 0.22334(19) 0.0389(16) Uani d . 1 . . C
  H15 0.5476 0.1601 0.1963 0.047 Uiso calc R 1 . . H
  C16 0.3776(10) 0.2737(4) 0.2197(2) 0.0447(16) Uani d . 1 . . C
  H16 0.2623 0.2732 0.1898 0.054 Uiso calc R 1 . . H
  C17 0.3740(9) 0.3424(4) 0.2596(2) 0.0419(16) Uani d . 1 . . C
  H17 0.2562 0.3882 0.2561 0.050 Uiso calc R 1 . . H
  C18 0.5392(9) 0.3457(4) 0.3046(2) 0.0365(15) Uani d . 1 . . C
  H18 0.5352 0.3922 0.3320 0.044 Uiso calc R 1 . . H
  C19 1.0234(8) 0.1756(3) 0.32964(18) 0.0264(13) Uani d . 1 . . C
  C20 0.9025(8) 0.1454(4) 0.2814(2) 0.0301(13) Uani d . 1 . . C
  C21 0.9781(9) 0.0691(4) 0.25342(19) 0.0371(15) Uani d . 1 . . C
  H21 0.8979 0.0494 0.2200 0.045 Uiso calc R 1 . . H
  C22 1.1738(9) 0.0221(4) 0.2752(2) 0.0459(16) Uani d . 1 . . C
  H22 1.2251 -0.0317 0.2576 0.055 Uiso calc R 1 . . H
  C23 1.2932(9) 0.0534(4) 0.3225(2) 0.0436(16) Uani d . 1 . . C
  H23 1.4323 0.0225 0.3358 0.052 Uiso calc R 1 . . H
  C24 1.2155(8) 0.1289(3) 0.35116(19) 0.0323(14) Uani d . 1 . . C
  H24 1.2939 0.1479 0.3850 0.039 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
  C1 0.021(3) 0.035(4) 0.039(3) 0.006(3) -0.002(2) -0.007(3)
  N1 0.042(3) 0.028(4) 0.041(2) -0.006(2) -0.003(2) 0.002(3)
  C2 0.043(3) 0.044(5) 0.057(4) -0.008(3) -0.002(3) 0.004(4)
  C3 0.029(3) 0.049(5) 0.062(4) -0.005(3) -0.007(3) -0.020(4)
  C4 0.035(3) 0.086(6) 0.036(3) -0.011(4) 0.001(3) -0.018(4)
  C5 0.033(3) 0.061(5) 0.036(3) -0.011(3) 0.001(3) -0.007(3)
  C6 0.029(3) 0.042(4) 0.028(2) 0.004(3) 0.004(2) 0.004(3)
  C7 0.024(3) 0.036(4) 0.040(3) 0.006(3) 0.008(3) -0.008(3)
  C8 0.019(3) 0.037(4) 0.037(3) -0.002(3) -0.002(3) -0.009(3)
  O1 0.028(2) 0.085(3) 0.0312(18) -0.001(2) 0.0046(19) -0.001(2)
  O2 0.0220(19) 0.051(3) 0.0376(19) 0.0104(18) 0.0038(17) 0.002(2)
  C9 0.025(3) 0.060(4) 0.046(3) 0.007(3) -0.011(3) 0.002(3)
  N2 0.021(2) 0.026(3) 0.041(2) 0.003(2) -0.002(2) -0.014(2)
  C10 0.024(3) 0.036(5) 0.022(3) 0.000(3) 0.003(2) -0.003(3)
  O3 0.0234(19) 0.034(3) 0.051(2) -0.0078(19) 0.0073(17) -0.009(2)
  O4 0.0190(18) 0.039(3) 0.0381(17) 0.0017(19) 0.0068(16) -0.0047(19)
  C11 0.022(3) 0.040(4) 0.036(3) 0.004(3) 0.001(2) -0.004(3)
  C12 0.019(3) 0.028(4) 0.035(3) -0.008(3) 0.008(2) -0.007(3)
  C13 0.025(3) 0.036(4) 0.032(3) -0.011(3) 0.009(2) -0.001(3)
  C14 0.028(3) 0.034(4) 0.028(3) -0.011(3) 0.005(2) 0.006(3)
  C15 0.035(3) 0.053(5) 0.028(3) -0.013(3) 0.000(3) 0.003(3)
  C16 0.033(3) 0.055(5) 0.046(3) -0.005(3) -0.009(3) 0.012(4)
  C17 0.024(3) 0.051(5) 0.050(3) -0.001(3) 0.001(3) 0.024(4)
  C18 0.030(3) 0.039(4) 0.040(3) -0.001(3) 0.011(3) 0.006(3)
  C19 0.016(3) 0.032(4) 0.031(3) -0.005(3) 0.001(2) 0.001(3)
  C20 0.024(3) 0.032(4) 0.034(3) -0.006(3) 0.001(2) -0.003(3)
  C21 0.033(3) 0.048(5) 0.030(3) -0.007(3) 0.000(3) -0.006(3)
  C22 0.041(4) 0.057(5) 0.039(3) 0.003(3) 0.007(3) -0.008(3)
  C23 0.024(3) 0.056(5) 0.050(3) 0.009(3) 0.003(3) -0.003(3)
  C24 0.023(3) 0.042(4) 0.031(3) -0.005(3) -0.002(2) 0.004(3)
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
  C1 N1 . 1.338(6) ?
  C1 C5 . 1.368(6) ?
  C1 C6 . 1.485(7) ?
  N1 C2 . 1.334(6) ?
  C2 H2 . 0.950 ?
  C2 C3 . 1.383(6) ?
  C3 H3 . 0.950 ?
  C3 C4 . 1.381(7) ?
  C4 H4 . 0.950 ?
  C4 C5 . 1.357(7) ?
  C5 H5 . 0.950 ?
  C6 H6A . 0.990 ?
  C6 H6B . 0.990 ?
  C6 C7 . 1.536(6) ?
  C7 H7 . 1.000 ?
  C7 C8 . 1.533(6) ?
  C7 N2 . 1.427(6) ?
  C8 O1 . 1.197(5) ?
  C8 O2 . 1.327(5) ?
  O2 C9 . 1.438(5) ?
  C9 H9A . 0.980 ?
  C9 H9B . 0.980 ?
  C9 H9C . 0.980 ?
  N2 H2N . 0.880 ?
  N2 C10 . 1.338(6) ?
  C10 O3 . 1.201(5) ?
  C10 O4 . 1.347(5) ?
  O4 C11 . 1.450(5) ?
  C11 H11A . 0.990 ?
  C11 H11B . 0.990 ?
  C11 C12 . 1.521(6) ?
  C12 H12 . 1.000 ?
  C12 C13 . 1.525(6) ?
  C12 C19 . 1.525(6) ?
  C13 C14 . 1.398(6) ?
  C13 C18 . 1.394(6) ?
  C14 C15 . 1.379(6) ?
  C14 C20 . 1.457(6) ?
  C15 H15 . 0.950 ?
  C15 C16 . 1.366(7) ?
  C16 H16 . 0.950 ?
  C16 C17 . 1.394(7) ?
  C17 H17 . 0.950 ?
  C17 C18 . 1.400(6) ?
  C18 H18 . 0.950 ?
  C19 C20 . 1.394(6) ?
  C19 C24 . 1.368(6) ?
  C20 C21 . 1.384(6) ?
  C21 H21 . 0.950 ?
  C21 C22 . 1.390(7) ?
  C22 H22 . 0.950 ?
  C22 C23 . 1.377(6) ?
  C23 H23 . 0.950 ?
  C23 C24 . 1.386(6) ?
  C24 H24 . 0.950 ?