Crystallography Open Database

Information card for entry 7238883

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Coordinates	7238883.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Cl N O3
Calculated formula	C16 H16 Cl N O3
Title of publication	Acid-mediated transformation of spirocyclopropyl oxetanes: a facile approach to spirocyclopropyl butenolides and γ-butyrolactones
Authors of publication	Wu, Dong-Dong; Huang, Cheng-Mei; Wu, Yi-Han; Fun, Hoong-Kun; Xu, Jian-Hua; Zhang, Yan
Journal of publication	RSC Advances
Year of publication	2013
Journal volume	3
Journal issue	20
Pages of publication	7529
a	7.745 ± 0.0002 Å
b	9.8432 ± 0.0002 Å
c	10.1768 ± 0.0002 Å
α	84.638 ± 0.001°
β	73.912 ± 0.001°
γ	75.135 ± 0.001°
Cell volume	720.29 ± 0.03 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0346
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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