Crystallography Open Database

Information card for entry 2011433

2011432 << 2011433 >> 2011434

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Coordinates	2011433.cif
Original IUCr paper	HTML

Structure parameters

Formula	C11 H12 O4
Calculated formula	C11 H12 O4
SMILES	[C@H]12C(=O)O[C@@H]([C@H]1[C@H]1C=C[C@@H]2C1)OC(=O)C
Title of publication	(5<i>S</i>)-3-Oxo-4-oxa-<i>endo</i>-tricyclo[5.2.1.0^2,6^]dec-8-en-5-yl acetate
Authors of publication	Ellis, Dianne D.; Spek, Anthony L.
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	10
Pages of publication	1269 - 1270
a	7.4538 ± 0.0008 Å
b	7.5568 ± 0.0007 Å
c	17.6385 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	993.52 ± 0.16 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0395
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for all reflections included in the refinement	0.0825
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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