Crystallography Open Database

Information card for entry 1568421

Preview

Coordinates	1568421.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H26 Cl3 N3 O5
Calculated formula	C31 H26 Cl3 N3 O5
Title of publication	Enantioselective construction of triaryl-substituted all-carbon quaternary stereocenters via organocatalytic arylation of oxindoles with azonaphthalenes
Authors of publication	Chen, Pengquan; Lv, Mei-Jun; Cheng, Jun Kee; Xiang, Shao-Hua; Ren, Xiang-Zhong; Zhang, Junmin; Tan, Bin
Journal of publication	Chemical Science
Year of publication	2023
Journal volume	14
Journal issue	9
Pages of publication	2330 - 2335
a	9.9368 ± 0.0002 Å
b	17.0962 ± 0.0003 Å
c	17.1478 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2913.09 ± 0.09 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 K
Number of distinct elements	5
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	0.0187
Residual factor for significantly intense reflections	0.0184
Weighted residual factors for significantly intense reflections	0.0464
Weighted residual factors for all reflections included in the refinement	0.0465
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
281391 (current)	2023-03-04	cif/ Updating files of 1568421 Original log message: Adding full bibliography for 1568421.cif.	1568421.cif
280956	2023-02-20	cif/ Adding structures of 1568421 via cif-deposit CGI script.	1568421.cif