Crystallography Open Database

Information card for entry 7133315

Preview

Coordinates	7133315.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H37 P S Si3
Calculated formula	C28 H37 P S Si3
Title of publication	Metal-catalyzed valence isomerization of a methylene(thioxo)phosphorane to a thiaphosphirane.
Authors of publication	Ishida, Shintaro; Yoshida, Yusuke; Iwamoto, Takeaki
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	63
Pages of publication	8288 - 8291
a	13.2702 ± 0.0003 Å
b	12.96 ± 0.0002 Å
c	17.3599 ± 0.0003 Å
α	90°
β	107.126 ± 0.002°
γ	90°
Cell volume	2853.2 ± 0.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 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	0.0317
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0802
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
293690 (current)	2024-08-05	cif/ Updating files of 7133312, 7133313, 7133314, 7133315, 7133316 Original log message: Adding full bibliography for 7133312--7133316.cif.	7133315.cif
293387	2024-07-13	cif/ Adding structures of 7133312, 7133313, 7133314, 7133315, 7133316 via cif-deposit CGI script.	7133315.cif