#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2000052.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_2000052
_chemical_formula_sum 'C30 H32 N2 O1 P2'
_journal_volume 214
_journal_year 1999
_journal_page_first 581
_journal_name_full 'Z.Kristallogr.-New Cryst.Struct.'
loop_
_publ_author_name
"F.Robert"
"Y.Gimbert"
"M.T.Averbuch"
"A.Durif"
"A.Greene"
_chemical_melting_point 459
_cell_volume   1356.367
_exptl_crystal_colour 'colorless'
_exptl_crystal_density_diffrn 1.221
_refine_ls_R_factor_gt 0.0287
_refine_ls_wR_factor_gt 0.0287
_symmetry_cell_setting monoclinic
_symmetry_space_group_name_H-M 'P 21'
_symmetry_Int_Tables_number 4
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -x,1/2+y,-z
_cell_length_a 9.405(3)
_cell_length_b 14.531(3)
_cell_length_c 10.578(4)
_cell_angle_alpha 90
_cell_angle_beta 110.24(3)
_cell_angle_gamma 90
_cell_formula_units_Z 2
loop_
_atom_type_symbol
_atom_type_radius_bond
C 0.68
H 0.23
N 0.68
O 0.68
P 1.05
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
P1 P 0.80160(6) 0.81840 0.18406(5)
P2 P 0.77587(5) 0.63412(5) 0.30974(5)
O1 O 1.2494(2) 0.6165(1) 0.1212(1)
N1 N 0.8796(2) 0.7205(1) 0.2726(1)
N2 N 1.0424(2) 0.7153(1) 0.3251(1)
C1 C 0.6920(2) 0.8700(1) 0.2797(2)
C2 C 0.7418(2) 0.8636(2) 0.4186(2)
C3 C 0.6761(3) 0.9153(2) 0.4940(2)
C4 C 0.5575(3) 0.9735(2) 0.4287(3)
C5 C 0.5066(3) 0.9806(2) 0.2918(3)
C6 C 0.5732(2) 0.9297(2) 0.2163(2)
C7 C 0.6512(2) 0.7776(1) 0.0331(2)
C8 C 0.6767(2) 0.7870(2) -0.0885(2)
C9 C 0.5653(3) 0.7610(2) -0.2093(2)
C10 C 0.4326(3) 0.7251(2) -0.2083(2)
C11 C 0.4056(2) 0.7147(2) -0.0892(2)
C12 C 0.5140(2) 0.7414(1) 0.0302(2)
C13 C 0.8305(2) 0.5336(1) 0.2338(2)
C14 C 0.8157(3) 0.5387(2) 0.0983(2)
C15 C 0.8473(3) 0.4647(2) 0.0327(2)
C16 C 0.8945(3) 0.3823(2) 0.0988(2)
C17 C 0.9053(3) 0.3753(2) 0.2301(2)
C18 C 0.8736(3) 0.4503(2) 0.2968(2)
C19 C 0.8708(2) 0.6141(1) 0.4903(2)
C20 C 0.7868(2) 0.6332(2) 0.5730(2)
C21 C 0.8509(2) 0.6230(2) 0.7117(2)
C22 C 0.9982(3) 0.5947(2) 0.7692(2)
C23 C 1.0815(2) 0.5752(2) 0.6895(2)
C24 C 1.0194(2) 0.5852(1) 0.5511(2)
C25 C 1.1103(2) 0.7883(2) 0.4247(2)
C26 C 1.2672(2) 0.7991(2) 0.4177(2)
C27 C 1.2368(2) 0.7919(2) 0.2676(2)
C28 C 1.1188(2) 0.7142(1) 0.2238(2)
C29 C 1.1909(2) 0.6210(2) 0.2272(2)
C30 C 1.3247(3) 0.5336(2) 0.1214(3)
H1 H 0.83120 0.82300 0.46910
H2 H 0.68810 0.89250 0.57960
H3 H 0.50750 1.00700 0.47850
H4 H 0.41910 1.02780 0.24070
H5 H 0.53070 0.93090 0.10780
H6 H 0.77100 0.81440 -0.08990
H7 H 0.59620 0.77200 -0.28890
H8 H 0.36270 0.70760 -0.27720
H9 H 0.29760 0.69410 -0.09830
H10 H 0.49870 0.73490 0.11650
H11 H 0.77960 0.59220 0.05070
H12 H 0.85050 0.46350 -0.05820
H13 H 0.91350 0.32520 0.05460
H14 H 0.93540 0.31930 0.27650
H15 H 0.89430 0.44720 0.39360
H16 H 0.69030 0.66140 0.53980
H17 H 0.79610 0.64010 0.77170
H18 H 1.04320 0.59490 0.87270
H19 H 1.18220 0.55610 0.73050
H20 H 1.08760 0.57460 0.49810
H21 H 1.11850 0.77130 0.52030
H22 H 1.04300 0.85590 0.38830
H23 H 1.31060 0.85720 0.45560
H24 H 1.33180 0.74510 0.46250
H25 H 1.32350 0.77900 0.24290
H26 H 1.18520 0.85310 0.22180
H27 H 1.04410 0.72940 0.13300
H28 H 1.10710 0.57130 0.21510
H29 H 1.26970 0.61640 0.31810
H30 H 1.34460 0.52780 0.03200
H31 H 1.27170 0.48250 0.12620
H32 H 1.41550 0.53100 0.19500