Crystallography Open Database

Information card for entry 2005167

2005166 << 2005167 >> 2005168

Preview

Coordinates	2005167.cif
Original IUCr paper	HTML

Structure parameters

Common name	γ-Lactone
Chemical name	methyl 11-oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate
Formula	C12 H16 O4
Calculated formula	C12 H16 O4
Title of publication	γ-Lactones: Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-4-ene-9-carboxylate, Methyl 11-Oxa-10-oxobicyclo[6.3.0]undec-2-ene-9-carboxylate and Methyl 9-Oxa-10-oxobicyclo[6.3.0]undecane-11-carboxylate
Authors of publication	Pèpe, G.; Astier, J.-P.; Lamarque, L.; Méou, A.; Brun, P.
Journal of publication	Acta Crystallographica Section C
Year of publication	1996
Journal volume	52
Journal issue	7
Pages of publication	1695 - 1699
a	6.933 ± 0.002 Å
b	22.519 ± 0.004 Å
c	7.408 ± 0.002 Å
α	90°
β	94.6 ± 0.03°
γ	90°
Cell volume	1152.8 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0479
Residual factor for significantly intense reflections	0.0479
Weighted residual factors for all reflections	0.0479
Weighted residual factors for significantly intense reflections	0.0479
Goodness-of-fit parameter for all reflections	0.71
Goodness-of-fit parameter for significantly intense reflections	0.71
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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