Crystallography Open Database

Information card for entry 7133384

Preview

Coordinates	7133384.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H17 N O2 S2
Calculated formula	C16 H17 N O2 S2
Title of publication	Chemical fixation of CO<sub>2</sub>/CS<sub>2</sub> to access iodoallenyl oxazolidinones and allenyl thiazolidine-thiones.
Authors of publication	Li, Xuejian; Liu, Qinglong; Song, Wangze
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	66
Pages of publication	8756 - 8759
a	18.822 ± 0.003 Å
b	9.4151 ± 0.0014 Å
c	9.3683 ± 0.0014 Å
α	90°
β	94.291 ± 0.004°
γ	90°
Cell volume	1655.5 ± 0.4 Å³
Cell temperature	273 K
Ambient diffraction temperature	273 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1247
Weighted residual factors for all reflections included in the refinement	0.1354
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
294431 (current)	2024-09-06	cif/ Updating files of 7133384 Original log message: Adding full bibliography for 7133384.cif.	7133384.cif
293526	2024-07-25	cif/ Adding structures of 7133384 via cif-deposit CGI script.	7133384.cif