#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2003725.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_2003725
_journal_name_full   'Acta Crystallographica'
_journal_year        1995
_journal_volume    	C51
_journal_page_first    	1374
_journal_page_last    	1377
_publ_section_title    	
;
2,3-Diphenylmaleic Anhydride, an Analogue of cis-Stilbene
;
_chemical_formula_sum    	'C16 H10 O3'
_chemical_formula_weight    	250.26
loop_
    _symmetry_equiv_pos_as_xyz
    'x,y,z'
    '1/2+x,y,1/2-z'
    'x,1/2-y,1/2+z'
    '1/2-x,1/2+y,z'
    '-x,-y,-z'
    '1/2-x,-y,1/2+z'
    '-x,1/2+y,1/2-z'
    '1/2+x,1/2-y,-z'
_symmetry_space_group_name_H-M    	'P b c a'
_cell_length_a    	18.959(3)
_cell_length_b    	13.339(3)
_cell_length_c    	19.684(2)
_cell_angle_alpha    	90
_cell_angle_beta    	90
_cell_angle_gamma    	90
_cell_volume    	4977.8(5)
_cell_formula_units_Z    	16
_exptl_crystal_density_diffrn    	1.336
_exptl_crystal_density_meas    	?
_diffrn_radiation_type    	'MoK\a'
_diffrn_radiation_wavelength    	0.71069
_cell_measurement_reflns_used    	25
_cell_measurement_theta_min    	9.8
_cell_measurement_theta_max    	13.2
_exptl_absorpt_coefficient_mu    	0.086
_cell_measurement_temperature    	297
_exptl_crystal_description    	'Platelet'
_exptl_crystal_size_max    	0.12
_exptl_crystal_size_mid    	0.1
_exptl_crystal_size_min    	0.06
_exptl_crystal_size_rad    	?
_exptl_crystal_colour    	'Green'
_chemical_compound_source    	'Acetone'
_diffrn_measurement_device    	'Enraf-Nonius CAD-4'
_diffrn_measurement_method    	'\w-2\q'
_exptl_absorpt_correction_type    	'none'
_exptl_absorpt_correction_T_min    	?
_exptl_absorpt_correction_T_max    	?
_diffrn_reflns_number    	3877
_reflns_number_total    	3861
_reflns_number_observed    	2574
_reflns_observed_criterion    	|F~o~|>3\s(|F~o~|)
_diffrn_reflns_av_R_equivalents    	none
_diffrn_reflns_theta_max    	23
_diffrn_reflns_limit_h_min    	0
_diffrn_reflns_limit_h_max    	20
_diffrn_reflns_limit_k_min    	0
_diffrn_reflns_limit_k_max    	14
_diffrn_reflns_limit_l_min    	0
_diffrn_reflns_limit_l_max    	21
_diffrn_standards_number    	3
_diffrn_standards_interval_count    	?
_diffrn_standards_interval_time    	100
_diffrn_standards_decay_%    	2
_refine_ls_structure_factor_coef    	F
_refine_ls_R_factor_obs    	0.0657
_refine_ls_wR_factor_obs    	0.0657
_refine_ls_goodness_of_fit_obs    	3.0897
_refine_ls_number_reflns    	2574
_refine_ls_number_parameters    	423
_refine_ls_hydrogen_treatment    	'refall'
_refine_ls_weighting_scheme    	'unit'
_refine_ls_shift/esd_max    	0.049
_refine_diff_density_max    	0.23
_refine_diff_density_min    	-0.23
_refine_ls_extinction_method    	'none'
_refine_ls_extinction_coef    	?
_atom_type_scat_source    	'SHELX76 (Sheldrick, 1976)'
loop_
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    O(1) .1742(4) .1146(5) .1942(4) .086(6)
    O(2) .0825(4) .0853(5) .2622(4) .075(5)
    O(3) .0197(3) .0498(6) .3569(4) .084(6)
    C(1) .1545(6) .0881(7) .2477(5) .063(7)
    C(2) .1940(4) .0552(6) .3084(4) .045(5)
    C(3) .1476(4) .0282(6) .3567(4) .043(5)
    C(4) .0754(5) .0517(7) .3293(6) .060(7)
    C(11) .2715(4) .0646(6) .3131(4) .046(6)
    C(12) .3145(6) .0453(7) .2572(6) .060(7)
    C(13) .3874(6) .0566(8) .2640(6) .070(8)
    C(14) .4164(6) .0872(8) .3233(7) .075(8)
    C(15) .3740(5) .1074(9) .3794(6) .073(8)
    C(16) .3025(5) .0962(8) .3743(5) .062(7)
    C(21) .1565(4) -.0194(7) .4223(4) .049(6)
    C(22) .2019(5) -.0997(8) .4296(6) .055(6)
    C(23) .2087(6) -.1483(9) .4920(7) .074(8)
    C(24) .1744(7) -.1103(10) .5489(6) .079(9)
    C(25) .1298(6) -.0312(10) .5441(6) .074(8)
    C(26) .1205(5) .0141(9) .4797(6) .064(7)
    H(12) .289(5) .010(7) .229(5) .102(45)
    H(13) .410(3) .037(5) .226(3) .013(18)
    H(14) .468(5) .098(6) .331(4) .071(29)
    H(15) .396(4) .142(6) .421(4) .065(26)
    H(16) .269(4) .110(5) .413(3) .040(22)
    H(22) .222(5) -.130(7) .394(5) .090(41)
    H(23) .241(6) -.200(8) .493(6) .134(50)
    H(24) .176(5) -.156(7) .593(5) .088(33)
    H(25) .097(7) .007(9) .579(6) .163(59)
    H(26) .094(4) .064(6) .468(4) .058(32)
    O(1') .6549(4) .2052(5) .6719(3) .074(5)
    O(2') .5705(4) .1781(5) .7498(3) .067(5)
    O(3') .4643(4) .1544(5) .7987(3) .083(5)
    C(1') .5949(6) .1896(7) .6842(5) .063(7)
    C(2') .5321(5) .1808(6) .6372(4) .043(5)
    C(3') .4749(5) .1669(6) .6761(4) .050(6)
    C(4') .4979(6) .1649(7) .7488(5) .060(6)
    C(11') .5411(4) .1961(7) .5643(4) .044(5)
    C(12') .5968(5) .1502(7) .5304(4) .054(6)
    C(13') .6050(5) .1655(8) .4602(5) .066(7)
    C(14') .5591(6) .2287(9) .4263(5) .065(7)
    C(15') .5040(5) .2745(8) .4590(4) .056(6)
    C(16') .4955(5) .2571(7) .5277(4) .050(6)
    C(21') .4006(5) .1528(6) .6576(4) .047(6)
    C(22') .3817(5) .1020(8) .5988(5) .053(6)
    C(23') .3127(6) .0921(8) .5804(5) .067(8)
    C(24') .2605(6) .1307(9) .6207(7) .080(9)
    C(25') .2763(6) .1790(9) .6806(7) .082(9)
    C(26') .3467(6) .1898(7) .6996(5) .068(7)
    H(12') .629(4) .098(6) .560(4) .059(24)
    H(13') .654(4) .147(5) .435(3) .041(20)
    H(14') .567(4) .233(5) .387(3) .024(22)
    H(15') .473(6) .328(8) .430(5) .129(41)
    H(16') .463(3) .295(4) .555(3) .005(15)
    H(22') .417(3) .076(5) .569(3) .029(20)
    H(23') .301(3) .051(5) .548(3) .022(20)
    H(24') .211(4) .129(5) .606(4) .048(25)
    H(25') .246(6) .212(9) .717(6) .159(56)
    H(26') .360(4) .232(6) .741(4) .066(28)