Crystallography Open Database

Information card for entry 2000849

2000848 << 2000849 >> 2000850

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Coordinates	2000849.cif
Original IUCr paper	HTML

Structure parameters

Formula	C10 H12 O4
Calculated formula	C10 H12 O4
SMILES	COc1cc(C)c(c(c1)O)C(=O)OC
Title of publication	Structure of the methyl ester of everninic acid (methyl 2-hydroxy-4-methoxy-6-methylbenzoate)
Authors of publication	Blaser, D.; Stoeckli-Evans, H.
Journal of publication	Acta Crystallographica Section C
Year of publication	1992
Journal volume	48
Journal issue	6
Pages of publication	1124 - 1125
a	11.418 ± 0.002 Å
b	7.989 ± 0.001 Å
c	11.231 ± 0.002 Å
α	90°
β	106.36 ± 0.01°
γ	90°
Cell volume	983 ± 0.3 Å³
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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