Crystallography Open Database

Information card for entry 1543366

Preview

Coordinates	1543366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18.5 H22 Cl N O8
Calculated formula	C18.5 H22 Cl N O8
Title of publication	Phosphine-Catalyzed Intramolecular Cyclizations of α-Nitroethylallenoates Forming (Z)-Furanone Oximes.
Authors of publication	Zhou, Qing-Fa; Zhang, Kui; Cai, Lingchao; Kwon, Ohyun
Journal of publication	Organic letters
Year of publication	2016
Journal volume	18
Journal issue	12
Pages of publication	2954 - 2957
a	7.5805 ± 0.0001 Å
b	17.2484 ± 0.0002 Å
c	32.295 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4222.62 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0724
Residual factor for significantly intense reflections	0.0704
Weighted residual factors for significantly intense reflections	0.1837
Weighted residual factors for all reflections included in the refinement	0.1849
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
184971 (current)	2016-08-05	cif/ Updating files of 1543366 Original log message: Adding full bibliography for 1543366.cif.	1543366.cif
183114	2016-05-28	cif/ Adding structures of 1543366 via cif-deposit CGI script.	1543366.cif