Crystallography Open Database

Information card for entry 2200518

2200517 << 2200518 >> 2200519

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Structure parameters

Formula	C12 H9 Cl O2
Calculated formula	C12 H9 Cl O2
SMILES	Oc1cc(c2ccc(Cl)cc2)ccc1O
Title of publication	4-Chloro-3',4'-dihydroxybiphenyl
Authors of publication	Lehmler, Hans-Joachim; Robertson, Larry W.; Parkin, Sean
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	7
Pages of publication	o590 - o591
a	18.358 ± 0.001 Å
b	6.621 ± 0.002 Å
c	8.356 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1015.7 ± 0.5 Å³
Cell temperature	144 ± 1 K
Ambient diffraction temperature	144 ± 1 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0464
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for all reflections included in the refinement	0.0746
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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