Crystallography Open Database

Information card for entry 8107380

Preview

Coordinates	8107380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H14 O6
Calculated formula	C10 H14 O6
Title of publication	The crystal structure of 3-hydroxy-5-oxo-4-propanoylcyclohex-3-ene-1-carboxylic monohydrate, C10H14O6
Authors of publication	Huang, Li-Ming; Xia, Ying-Fan; Wang, Hai-Bin; Lin, Shu-Ting; Zhang, Jia-Rong; Jiang, Cheng-Jun
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2023
Journal volume	238
Journal issue	2
Pages of publication	157 - 158
a	7.5531 ± 0.0002 Å
b	9.3964 ± 0.0003 Å
c	9.5089 ± 0.0003 Å
α	61.833 ± 0.001°
β	68.623 ± 0.001°
γ	86.575 ± 0.001°
Cell volume	548.8 ± 0.03 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.141
Weighted residual factors for all reflections included in the refinement	0.1438
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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