Crystallography Open Database

Information card for entry 1571199

Preview

Coordinates	1571199.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound_36
Chemical name	Compound_36
Formula	C27 H24 N2 P2
Calculated formula	C27 H24 N2 P2
SMILES	P(=NC#N)(CCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.P(=NC#N)(CCP(c1ccccc1)c1ccccc1)(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	9.1045 ± 0.0001 Å
b	26.3845 ± 0.0003 Å
c	9.3517 ± 0.0001 Å
α	90°
β	93.698 ± 0.001°
γ	90°
Cell volume	2241.77 ± 0.04 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1582
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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
299904 (current)	2025-06-02	cif/1: Fixing Z values and formulae	1571199.cif
291567	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.	1571199.cif
290414	2024-03-09	cif/ Adding structures of 1571196, 1571197, 1571198, 1571199, 1571200, 1571201, 1571202, 1571203, 1571204 via cif-deposit CGI script.	1571199.cif