Crystallography Open Database

Information card for entry 7158503

Preview

Coordinates	7158503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23 N O3
Calculated formula	C21 H23 N O3
Title of publication	A palladium-catalyzed sequential Heck coupling/C-C bond activation approach to oxindoles with all-carbon-quaternary centers.
Authors of publication	Mao, Guoliang; Meng, Chenxiang; Cheng, Fangyuan; Wu, Wenbo; Gao, Yuan-Yuan; Li, Gao-Wei; Liu, Lantao
Journal of publication	Organic & biomolecular chemistry
Year of publication	2022
Journal volume	20
Journal issue	8
Pages of publication	1642 - 1646
a	8.2614 ± 0.0003 Å
b	13.2824 ± 0.0005 Å
c	8.9573 ± 0.0003 Å
α	90°
β	110.019 ± 0.001°
γ	90°
Cell volume	923.51 ± 0.06 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 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	0.046
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.1035
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273414 (current)	2022-03-05	cif/ Updating files of 7158503 Original log message: Adding full bibliography for 7158503.cif.	7158503.cif
272337	2022-01-29	cif/ Adding structures of 7158503 via cif-deposit CGI script.	7158503.cif