Crystallography Open Database

Information card for entry 1571201

Preview

Coordinates	1571201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24 N3 O P
Calculated formula	C25 H24 N3 O P
SMILES	P(=NC#N)(c1ccccc1C1=N[C@@H](CO1)C(C)C)(c1ccccc1)c1ccccc1
Title of publication	Electrosynthesis of iminophosphoranes and applications in nickel catalysis.
Authors of publication	Mdluli, Velabo; Lehnherr, Dan; Lam, Yu-Hong; Chaudhry, Mohammad T.; Newman, Justin A.; DaSilva, Jimmy O.; Regalado, Erik L.
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	16
Pages of publication	5980 - 5992
a	9.39428 ± 0.00009 Å
b	11.00098 ± 0.00013 Å
c	20.6966 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2138.92 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0644
Weighted residual factors for all reflections included in the refinement	0.0649
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
291567 (current)	2024-05-05	cif/ Updating files of 1571196, 1571197, 1571198, 1571199, 1571200, 1571201, 1571202, 1571203, 1571204 Original log message: Adding full bibliography for 1571196--1571204.cif.	1571201.cif
290414	2024-03-09	cif/ Adding structures of 1571196, 1571197, 1571198, 1571199, 1571200, 1571201, 1571202, 1571203, 1571204 via cif-deposit CGI script.	1571201.cif