Crystallography Open Database

Information card for entry 7157526

Preview

Coordinates	7157526.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H33 N O3
Calculated formula	C31 H33 N O3
SMILES	O=C1N(c2c(C\1=C(c1cc(C(C)(C)C)c(O)c(c1)C(C)(C)C)\C(=O)c1ccccc1)cccc2)C
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	9.4791 ± 0.0002 Å
b	9.7988 ± 0.0002 Å
c	15.518 ± 0.0004 Å
α	83.644 ± 0.001°
β	83.34 ± 0.001°
γ	62.855 ± 0.001°
Cell volume	1271.23 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0403
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0931
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
253973 (current)	2020-07-06	cif/ Updating files of 7157525, 7157526 Original log message: Adding full bibliography for 7157525--7157526.cif.	7157526.cif
252475	2020-05-30	cif/ Adding structures of 7157525, 7157526 via cif-deposit CGI script.	7157526.cif