Crystallography Open Database

Information card for entry 2234365

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Structure parameters

Chemical name	Methyl 2,2-dimethoxy-8-oxo-1-oxaspiro[4.5]deca-6,9-diene-3-carboxylate
Formula	C13 H16 O6
Calculated formula	C13 H16 O6
SMILES	O=C1C=CC2(OC(OC)(OC)C(C2)C(=O)OC)C=C1
Title of publication	Methyl 2,2-dimethoxy-8-oxo-1-oxaspiro[4.5]deca-6,9-diene-3-carboxylate
Authors of publication	Lou, Yongbing
Journal of publication	Acta Crystallographica Section E
Year of publication	2012
Journal volume	68
Journal issue	4
Pages of publication	o1152
a	6.5324 ± 0.0007 Å
b	11.7519 ± 0.0012 Å
c	17.4204 ± 0.0018 Å
α	90°
β	97.723 ± 0.002°
γ	90°
Cell volume	1325.2 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0561
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.1399
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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