Crystallography Open Database

Information card for entry 4519026

4519025 << 4519026 >> 4519027

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Coordinates	4519026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H15 N2 O3 P S
Calculated formula	C19 H15 N2 O3 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	18.8671 ± 0.0001 Å
b	11.7269 ± 0.0001 Å
c	16.0554 ± 0.0001 Å
α	90°
β	95.579 ± 0.001°
γ	90°
Cell volume	3535.47 ± 0.04 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.0736
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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

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