Crystallography Open Database

Information card for entry 7238886

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Coordinates	7238886.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 N O4
Calculated formula	C17 H19 N O4
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	13.3795 ± 0.0007 Å
b	12.7454 ± 0.0008 Å
c	17.2339 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2938.8 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0517
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1059
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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