Crystallography Open Database

Information card for entry 4519027

4519026 << 4519027 >> 4519028

Preview

Coordinates	4519027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 N O P S
Calculated formula	C16 H16 N O P S
Title of publication	Catalyst-free Hydrophosphinylation of Isocyanates and Isothiocyanates under Low-Added-Solvent Conditions
Authors of publication	Huke, Cameron D.; Taylor, Laurence J.; Argent, Stephen P.; Kays, Deborah L.
Journal of publication	ACS Sustainable Chemistry & Engineering
Year of publication	2021
Journal volume	9
Journal issue	32
Pages of publication	10704 - 10709
a	9.0779 ± 0.0001 Å
b	16.1069 ± 0.0002 Å
c	10.5344 ± 0.0001 Å
α	90°
β	102.06 ± 0.001°
γ	90°
Cell volume	1506.31 ± 0.03 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.0257
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.0646
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268443 (current)	2021-09-04	cif/ Adding structures of 4519018, 4519019, 4519020, 4519021, 4519022, 4519023, 4519024, 4519025, 4519026, 4519027 via cif-deposit CGI script.	4519027.cif