Crystallography Open Database

Information card for entry 7156964

Preview

Coordinates	7156964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H25 N O6
Calculated formula	C24 H25 N O6
Title of publication	Catalytic asymmetric (4 + 1) annulation of nitroalkenes with allylic acetates: stereoselective synthesis of isoxazoline N-oxides.
Authors of publication	Luo, Jinghua; Chen, Rongshun; Fan, Xia; Gong, Junyu; Han, Jie; He, Zhengjie
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	29
Pages of publication	6989 - 6993
a	5.53 ± 0.002 Å
b	12.216 ± 0.004 Å
c	32.227 ± 0.013 Å
α	90°
β	90°
γ	90°
Cell volume	2177.1 ± 1.4 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0916
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.106
Weighted residual factors for all reflections included in the refinement	0.1182
Goodness-of-fit parameter for all reflections included in the refinement	1.164
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225019 (current)	2019-11-08	cif/ Updating files of 7156964 Original log message: Adding full bibliography for 7156964.cif.	7156964.cif
216914	2019-07-10	cif/ Adding structures of 7156964 via cif-deposit CGI script.	7156964.cif