Crystallography Open Database

Information card for entry 2200548

2200547 << 2200548 >> 2200549

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Structure parameters

Formula	C8 H8 O4
Calculated formula	C8 H8 O4
SMILES	OC(=O)Cc1cc(O)c(O)cc1
Title of publication	3,4-Dihydroxyphenylacetic acid
Authors of publication	Okabe, Nobuo; Kyoyama, Hasuyo
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	8
Pages of publication	o715 - o716
a	16.181 ± 0.002 Å
b	11.625 ± 0.002 Å
c	7.938 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1493.2 ± 0.6 Å³
Cell temperature	296.2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for all reflections included in the refinement	0.2202
Goodness-of-fit parameter for all reflections included in the refinement	0.842
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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