Crystallography Open Database

Information card for entry 7238884

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Coordinates	7238884.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H17 N O3
Calculated formula	C16 H17 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	9.2655 ± 0.0007 Å
b	9.3737 ± 0.0007 Å
c	33.083 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2873.3 ± 0.4 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0712
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1356
Weighted residual factors for all reflections included in the refinement	0.1531
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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