Crystallography Open Database

Information card for entry 2010682

2010681 << 2010682 >> 2010683

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Structure parameters

Chemical name	4,4'-dibromobenzophenone
Formula	C13 H8 Br2 O
Calculated formula	C13 H8 Br2 O
SMILES	O=C(c1ccc(Br)cc1)c1ccc(Br)cc1
Title of publication	4,4'-Dibromobenzophenone at 293 and 103K
Authors of publication	Perić, Berislav; Kojić-Prodić, Biserka
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	2
Pages of publication	211 - 212
a	7.3969 ± 0.0004 Å
b	26.703 ± 0.0009 Å
c	6.0594 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1196.85 ± 0.1 Å³
Cell temperature	293 K
Ambient diffraction temperature	295 ± 3 K
Number of distinct elements	4
Space group number	37
Hermann-Mauguin space group symbol	C c c 2
Hall space group symbol	C 2 -2c
Residual factor for all reflections	0.0342
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for all reflections included in the refinement	0.0658
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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