#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2008415.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_2008415
_journal_name_full  'Acta Crystallographica'
_journal_year  1999
_journal_volume  C55
_publ_section_title
;
(RS,SR)-N,N'-Bis(2-hydroxybenzyl)-1,2-diphenylethylenediamine
;
loop_
_publ_author_name
  'Hoshina, Gakuse'
  'Ohba, Shigeru'
  'Tsuchimoto, Masanobu'
_chemical_name_common
;
N,N'-bis(2-hydroxybenzyl)-1,2-diphenylethylenediamine
;
_chemical_formula_moiety  'C28 H28 N2 O2'
_chemical_formula_sum  'C28 H28 N2 O2'
_chemical_formula_weight  424.54
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21/a'
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  1/2-x,1/2+y,-z
  -x,-y,-z
  1/2+x,1/2-y,z
_cell_length_a  7.361(3)
_cell_length_b  16.269(4)
_cell_length_c  9.622(3)
_cell_angle_alpha  90
_cell_angle_beta  97.60(3)
_cell_angle_gamma  90
_cell_volume  1142.2(6)
_cell_formula_units_Z  2
_cell_measurement_temperature  299
_exptl_crystal_density_diffrn  1.234
_diffrn_ambient_temperature  299
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_occupancy
_atom_site_type_symbol
  O1 0.0337(3) -0.1317(2) 0.4935(3) 0.0747(8) Uani 1.00 O
  N2 0.2985(3) -0.0451(2) 0.3901(3) 0.0510(7) Uani 1.00 N
  C3 -0.0449(4) -0.1377(2) 0.3581(3) 0.0479(8) Uani 1.00 C
  C4 -0.1899(5) -0.1927(2) 0.3268(4) 0.0550(9) Uani 1.00 C
  C5 -0.2761(5) -0.1994(2) 0.1915(4) 0.0617(10) Uani 1.00 C
  C6 -0.2183(5) -0.1540(2) 0.0849(4) 0.0567(9) Uani 1.00 C
  C7 -0.0735(4) -0.1008(2) 0.1160(3) 0.0477(7) Uani 1.00 C
  C8 0.0127(4) -0.0900(2) 0.2507(3) 0.0462(8) Uani 1.00 C
  C9 0.1516(5) -0.0218(3) 0.2852(4) 0.0710(10)
  Uani 1.00 C
  C10 0.4293(5) 0.0160(2) 0.4440(3) 0.0536(9) Uani 1.00 C
  C11 0.5070(4) 0.0694(2) 0.3371(3) 0.0412(7) Uani 1.00 C
  C12 0.5938(5) 0.0358(2) 0.2321(4) 0.0576(9) Uani 1.00 C
  C13 0.6658(6) 0.0839(3) 0.1381(4) 0.0750(10)
  Uani 1.00 C
  C14 0.6571(6) 0.1672(3) 0.1464(5) 0.0790(10)
  Uani 1.00 C
  C15 0.5711(6) 0.2032(2) 0.2488(5) 0.0760(10)
  Uani 1.00 C
  C16 0.4936(5) 0.1540(2) 0.3439(4) 0.0551(8) Uani 1.00 C
  H1 0.1496 -0.1061 0.4928 0.0907 Uiso 1.00 H
  H2 0.3463 -0.0842 0.3312 0.0907 Uiso 1.00 H
  H4 -0.2296 -0.2253 0.3990 0.0663 Uiso 1.00 H
  H5 -0.3768 -0.2358 0.1723 0.0735 Uiso 1.00 H
  H6 -0.2778 -0.1593 -0.0087 0.0686 Uiso 1.00 H
  H7 -0.0311 -0.0707 0.0417 0.0572 Uiso 1.00 H
  H9A 0.0918 0.0244 0.3174 0.0859 Uiso 1.00 H
  H9B 0.2019 -0.0079 0.2019 0.0859 Uiso 1.00 H
  H10 0.3726 0.0509 0.5038 0.0648 Uiso 1.00 H
  H12 0.6031 -0.0220 0.2249 0.0696 Uiso 1.00 H
  H13 0.7243 0.0595 0.0660 0.0910 Uiso 1.00 H
  H14 0.7095 0.2008 0.0821 0.0945 Uiso 1.00 H
  H15 0.5640 0.2616 0.2554 0.0877 Uiso 1.00 H
  H16 0.4313 0.1786 0.4137 0.0672 Uiso 1.00 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
  O1 0.070(2) 0.100(2) 0.0530(10)
  -0.035(2) 0.0040(10)
  0.0090(10)
  N2 0.0440(10)
  0.060(2) 0.0460(10)
  -0.0180(10)
  -0.0050(10)
  0.0040(10)
  C3 0.041(2) 0.050(2) 0.052(2) -0.0050(10)
  0.0050(10)
  -0.0020(10)
  C4 0.046(2) 0.048(2) 0.074(2) -0.0090(10)
  0.019(2) -0.003(2)
  C5 0.043(2) 0.054(2) 0.087(3) -0.013(2) 0.005(2) -0.019(2)
  C6 0.049(2) 0.053(2) 0.065(2) -0.001(2) -0.007(2) -0.017(2)
  C7 0.043(2) 0.047(2) 0.052(2) 0.0030(10)
  0.0010(10)
  0.0000(10)
  C8 0.035(2) 0.049(2) 0.053(2) -0.0070(10)
  0.0000(10)
  0.0020(10)
  C9 0.059(2) 0.082(3) 0.066(2) -0.027(2) -0.013(2) 0.017(2)
  C10 0.049(2) 0.059(2) 0.050(2) -0.019(2) -0.0020(10)
  0.005(2)
  C11 0.0340(10)
  0.042(2) 0.046(2) -0.0050(10)
  -0.0010(10)
  0.0020(10)
  C12 0.057(2) 0.054(2) 0.063(2) 0.008(2) 0.014(2) 0.002(2)
  C13 0.063(2) 0.092(3) 0.074(3) 0.004(2) 0.026(2) 0.013(2)
  C14 0.058(2) 0.100(3) 0.077(3) -0.022(2) 0.004(2) 0.039(3)
  C15 0.074(3) 0.045(2) 0.101(3) -0.013(2) -0.022(2) 0.020(2)
  C16 0.051(2) 0.048(2) 0.064(2) 0.002(2) 0.001(2) -0.007(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 C3 . . 1.357(4) yes
  O1 H1 . . 0.950 no
  N2 C9 . . 1.429(4) yes
  N2 C10 . . 1.433(4) yes
  N2 H2 . . 0.950 no
  C3 C4 . . 1.395(4) yes
  C3 C8 . . 1.403(4) yes
  C4 C5 . . 1.375(5) yes
  C4 H4 . . 0.950 no
  C5 C6 . . 1.376(5) yes
  C5 H5 . . 0.948 no
  C6 C7 . . 1.375(5) yes
  C6 H6 . . 0.951 no
  C7 C8 . . 1.377(4) yes
  C7 H7 . . 0.953 no
  C8 C9 . . 1.515(5) yes
  C9 H9A . . 0.944 no
  C9 H9B . . 0.953 no
  C10 C10 . 3_656 1.489(6) yes
  C10 C11 . . 1.515(4) yes
  C10 H10 . . 0.944 no
  C11 C12 . . 1.377(5) yes
  C11 C16 . . 1.382(4) yes
  C12 C13 . . 1.356(6) yes
  C12 H12 . . 0.946 no
  C13 C14 . . 1.358(7) yes
  C13 H13 . . 0.951 no
  C14 C15 . . 1.371(7) yes
  C14 H14 . . 0.946 no
  C15 C16 . . 1.394(6) yes
  C15 H15 . . 0.953 no
  C16 H16 . . 0.950 no