Crystallography Open Database

Information card for entry 7157525

Preview

Coordinates	7157525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H33 N O3
Calculated formula	C31 H33 N O3
Title of publication	Divergent synthesis of oxindole derivatives via controllable reactions of isatin-derived para-quinone methides with sulfur ylides.
Authors of publication	You, Yong; Quan, Bao-Xue; Wang, Zhen-Hua; Zhao, Jian-Qiang; Yuan, Wei-Cheng
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	24
Pages of publication	4560 - 4565
a	10.0037 ± 0.0001 Å
b	20.2706 ± 0.0002 Å
c	13.2122 ± 0.0001 Å
α	90°
β	92.231 ± 0.001°
γ	90°
Cell volume	2677.15 ± 0.04 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0585
Weighted residual factors for significantly intense reflections	0.1632
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
253973 (current)	2020-07-06	cif/ Updating files of 7157525, 7157526 Original log message: Adding full bibliography for 7157525--7157526.cif.	7157525.cif
252475	2020-05-30	cif/ Adding structures of 7157525, 7157526 via cif-deposit CGI script.	7157525.cif