Crystallography Open Database

Information card for entry 2200254

2200253 << 2200254 >> 2200255

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Coordinates	2200254.cif
Original IUCr paper	HTML

Structure parameters

Formula	C11 H10 O2
Calculated formula	C11 H10 O2
SMILES	O=C1OC[C@H]2[C@@H]1[C@@H]2c1ccccc1.O=C1OC[C@@H]2[C@H]1[C@H]2c1ccccc1
Title of publication	(±)-(3a<i>R</i>,4<i>R</i>,4a<i>S</i>)-4-Phenyl-3,3a,4,4a-tetrahydro-1<i>H</i>-cyclopropa[<i>c</i>]furan-1-one
Authors of publication	Avery, Thomas D.; Taylor, Dennis K.; Tiekink, Edward R. T.
Journal of publication	Acta Crystallographica Section E
Year of publication	2001
Journal volume	57
Journal issue	4
Pages of publication	o375 - o376
a	8.927 ± 0.001 Å
b	10.2311 ± 0.0009 Å
c	9.776 ± 0.002 Å
α	90°
β	106.04 ± 0.02°
γ	90°
Cell volume	858.1 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
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
Residual factor for all reflections	0.088
Residual factor for significantly intense reflections	0.039
Weighted residual factors for all reflections included in the refinement	0.144
Goodness-of-fit parameter for all reflections included in the refinement	0.93
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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