Crystallography Open Database

Information card for entry 7238885

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Coordinates	7238885.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H13 Cl I N O2
Calculated formula	C14 H13 Cl I N O2
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	9.6909 ± 0.0005 Å
b	15.7393 ± 0.0008 Å
c	9.9721 ± 0.0006 Å
α	90°
β	111.376 ± 0.001°
γ	90°
Cell volume	1416.39 ± 0.13 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	6
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	0.0445
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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