Crystallography Open Database

Information card for entry 7125877

Preview

Coordinates	7125877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H16 Cl N3 O4
Calculated formula	C21 H16 Cl N3 O4
Title of publication	Asymmetric dearomatization of 2-nitrobenzofurans by organocatalyzed one-step Michael addition to access 3,3'-disubstituted oxindoles.
Authors of publication	Ge, Zhen-Zhen; Yang, Lei; You, Yong; Wang, Zhen-Hua; Xie, Ke-Xin; Zhou, Ming-Qiang; Zhao, Jian-Qiang; Yuan, Wei-Cheng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	17
Pages of publication	2586 - 2589
a	9.314 ± 0.0004 Å
b	21.8053 ± 0.0013 Å
c	9.5831 ± 0.0005 Å
α	90°
β	94.306 ± 0.004°
γ	90°
Cell volume	1940.78 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0508
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.1204
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
248810 (current)	2020-03-05	cif/ Updating files of 7125877 Original log message: Adding full bibliography for 7125877.cif.	7125877.cif
247358	2020-01-30	cif/ Adding structures of 7125877 via cif-deposit CGI script.	7125877.cif