Crystallography Open Database

Information card for entry 7714099

Preview

Coordinates	7714099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 N4 P2
Calculated formula	C36 H44 N4 P2
SMILES	P(=C1N(c2cc(N3C=CN(C3=Pc3c(cc(cc3C)C)C)C(C)C)ccc2)C=CN1C(C)C)c1c(cc(cc1C)C)C
Title of publication	Triphosphiranes as Phosphinidene-Transfer Agents – Synthesis of Regular and Chelating NHC Phosphinidene Adducts
Authors of publication	Siewert, Jan-Erik; Schumann, André; Wellnitz, Tim; Dankert, Fabian; Hering-Junghans, Christian
Journal of publication	Dalton Transactions
Year of publication	2023
a	15.3256 ± 0.0007 Å
b	27.6449 ± 0.0013 Å
c	15.9718 ± 0.0007 Å
α	90°
β	91.864 ± 0.002°
γ	90°
Cell volume	6763.3 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0796
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1778
Weighted residual factors for all reflections included in the refinement	0.1882
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7714099.html