Crystallography Open Database

Information card for entry 4116465

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Structure parameters

Common name	meconic acid
Formula	C7 H10 O10
Calculated formula	C7 H10 O10
SMILES	c1(c(c(=O)cc(C(=O)O)o1)O)C(=O)O.O.O.O
Title of publication	Poppy Acid: Synthesis and Crystal Chemistry
Authors of publication	Scott Lovell; Paramjeet Subramony; Bart Kahr
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	7020 - 7025
a	12.2591 ± 0.0006 Å
b	9.8938 ± 0.0005 Å
c	16.2499 ± 0.0004 Å
α	90°
β	95.791 ± 0.0003°
γ	90°
Cell volume	1960.88 ± 0.15 Å³
Cell temperature	161 ± 2 K
Ambient diffraction temperature	161 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1278
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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