Crystallography Open Database

Information card for entry 7156694

Preview

Coordinates	7156694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10.5 H10 N O3.5
Calculated formula	C10.5 H10 N O3.5
Title of publication	Thiosquaramide-catalysed asymmetric double Michael addition of 2-(3H)-furanones to nitroolefines.
Authors of publication	Yang, Mengchen; Chen, Chen; Yi, Xing; Li, Yuan; Wu, Xiaoqin; Li, Qingshan; Ban, Shurong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	11
Pages of publication	2883 - 2886
a	6.5334 ± 0.0007 Å
b	16.5353 ± 0.0019 Å
c	9.6045 ± 0.0011 Å
α	90°
β	99.396 ± 0.004°
γ	90°
Cell volume	1023.7 ± 0.2 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297.05 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0678
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1825
Weighted residual factors for all reflections included in the refinement	0.1842
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225287 (current)	2019-11-08	cif/ Updating files of 7156694 Original log message: Adding full bibliography for 7156694.cif.	7156694.cif
213684	2019-02-17	cif/ Adding structures of 7156694 via cif-deposit CGI script.	7156694.cif