Crystallography Open Database

Information card for entry 7122873

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Structure parameters

Chemical name	FLG-Thia
Formula	C22 H21 P S
Calculated formula	C22 H21 P S
Title of publication	Synthesis of free and ligated 1,2-thiaphosphetanes – expanding the pool of strained P-ligands
Authors of publication	Kyri, Andreas Wolfgang; Gleim, Florian; Becker, David; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer
Journal of publication	Chemical Communications
Year of publication	2019
a	8.9436 ± 0.0002 Å
b	19.1201 ± 0.0005 Å
c	10.6304 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1817.83 ± 0.07 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0663
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.166
Weighted residual factors for all reflections included in the refinement	0.167
Goodness-of-fit parameter for all reflections included in the refinement	1.144
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301860 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure.	7122873.cif
213211	2019-01-19	cif/ Adding structures of 7122871, 7122872, 7122873, 7122874 via cif-deposit CGI script.	7122873.cif