data_2005675
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume 	C52
_journal_page_first 	2839
_journal_page_last 	2841
_publ_section_title 	
;
2,6-Dibenzoylhydroquinone
;
_chemical_formula_sum 	'C20 H14 O4'
_chemical_formula_weight 	318.31
_symmetry_cell_setting 	orthorhombic
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'
_symmetry_space_group_name_H-M 	'P 21 21 21'
_cell_length_a 	8.0310(10)
_cell_length_b 	13.1610(10)
_cell_length_c 	14.4770(10)
_cell_angle_alpha 	90.00
_cell_angle_beta 	90.00
_cell_angle_gamma 	90.00
_cell_volume 	1530.2(2)
_cell_formula_units_Z 	4
_exptl_crystal_density_diffrn 	1.382
_exptl_crystal_density_meas 	1.377
_cell_measurement_temperature 	293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
 O1 1 0.0659(3) 0.6626(2) 0.87665(15) 0.0282(5)
 O2 1 -0.1716(3) 0.9239(2) 0.54636(13) 0.0196(4)
 O3 1 0.0722(3) 0.74704(15) 0.71695(13) 0.0173(4)
 O4 1 -0.3226(3) 1.0525(2) 0.86010(14) 0.0202(4)
 C1 1 -0.0128(3) 0.7445(2) 1.0138(2) 0.0161(5)
 C2 1 -0.0683(4) 0.6564(2) 1.0590(2) 0.0193(5)
 C3 1 -0.0801(4) 0.6553(2) 1.1549(2) 0.0242(6)
 C4 1 -0.0346(4) 0.7409(3) 1.2060(2) 0.0267(7)
 C5 1 0.0239(4) 0.8271(2) 1.1610(2) 0.0238(6)
 C6 1 0.0333(4) 0.8292(2) 1.0649(2) 0.0194(6)
 C7 1 0.0036(4) 0.7399(2) 0.9112(2) 0.0176(5)
 C8 1 -0.0550(3) 0.8242(2) 0.8520(2) 0.0134(5)
 C9 1 -0.0177(3) 0.8223(2) 0.7561(2) 0.0132(5)
 C10 1 -0.0819(3) 0.8991(2) 0.6987(2) 0.0130(5)
 C11 1 -0.1858(3) 0.9739(2) 0.7360(2) 0.0150(5)
 C12 1 -0.2218(4) 0.9762(2) 0.8297(2) 0.0148(5)
 C13 1 -0.1568(3) 0.9014(2) 0.8877(2) 0.0146(5)
 C14 1 -0.0535(3) 0.9023(2) 0.5962(2) 0.0143(5)
 C15 1 0.1158(3) 0.8874(2) 0.5574(2) 0.0139(5)
 C16 1 0.2588(4) 0.9103(2) 0.6079(2) 0.0180(5)
 C17 1 0.4154(4) 0.9017(2) 0.5680(2) 0.0224(6)
 C18 1 0.4307(4) 0.8694(2) 0.4768(2) 0.0231(6)
 C19 1 0.2885(4) 0.8454(2) 0.4260(2) 0.0227(6)
 C20 1 0.1324(4) 0.8546(2) 0.4657(2) 0.0171(5)
 H2 1 -0.0953(53) 0.5944(32) 1.0248(27) 0.028(10)
 H3 1 -0.1174(47) 0.5983(29) 1.1840(24) 0.019(9)
 H4 1 -0.0389(39) 0.7448(24) 1.2783(22) 0.006(7)
 H5 1 0.0434(48) 0.8843(29) 1.1946(24) 0.019(9)
 H6 1 0.0779(43) 0.8888(24) 1.0361(22) 0.008(7)
 H11 1 -0.2477(41) 1.0311(23) 0.6964(21) 0.009(7)
 H13 1 -0.1801(46) 0.9027(26) 0.9538(24) 0.016(8)
 H16 1 0.2491(46) 0.9346(28) 0.6710(26) 0.019(9)
 H17 1 0.5136(51) 0.9182(29) 0.6001(27) 0.025(10)
 H18 1 0.5346(53) 0.8653(30) 0.4510(28) 0.026(10)
 H19 1 0.2893(56) 0.8163(34) 0.3664(29) 0.036(11)
 H20 1 0.0367(42) 0.8391(24) 0.4358(22) 0.005(7)
 H41 1 -0.3244(60) 1.0522(35) 0.9187(34) 0.040(12)
 H31 1 0.1000(69) 0.7042(41) 0.7639(37) 0.056(15)