Crystallography Open Database

Information card for entry 7158117

Preview

Coordinates	7158117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H21 N O4 S
Calculated formula	C16 H21 N O4 S
Title of publication	Diastereoselective synthesis of chiral 3-substituted isoindolinones <i>via</i> rhodium(III)-catalyzed oxidative C-H olefination/annulation.
Authors of publication	Li, Xue-Hong; Gong, Jun-Fang; Song, Mao-Ping
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	26
Pages of publication	5876 - 5887
a	9.4481 ± 0.0004 Å
b	10.3898 ± 0.0005 Å
c	17.997 ± 0.0009 Å
α	90°
β	96.944 ± 0.004°
γ	90°
Cell volume	1753.7 ± 0.14 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	0.0629
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.138
Weighted residual factors for all reflections included in the refinement	0.1557
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
268938 (current)	2021-09-06	cif/ Updating files of 7158117, 7158118 Original log message: Adding full bibliography for 7158117--7158118.cif.	7158117.cif
265774	2021-06-04	cif/ Adding structures of 7158117, 7158118 via cif-deposit CGI script.	7158117.cif