Crystallography Open Database

Information card for entry 4519019

4519018 << 4519019 >> 4519020

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Coordinates	4519019.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 N O4 P
Calculated formula	C21 H20 N O4 P
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	11.1796 ± 0.0004 Å
b	12.4375 ± 0.0006 Å
c	14.5087 ± 0.0007 Å
α	102.974 ± 0.004°
β	93.417 ± 0.004°
γ	104.758 ± 0.004°
Cell volume	1886.37 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0369
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0798
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	4519019.cif