Crystallography Open Database

Information card for entry 1551230

Preview

Coordinates	1551230.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H39 B N7 O2 P W
Calculated formula	C25 H39 B N7 O2 P W
SMILES	[W]12([n]3n(c(cc3C)C)[BH](n3[n]1c(C)cc3C)n1[n]2c(cc1C)C)(C#[O])(C#[O])=CP(N(C(C)C)C(C)C)C
Title of publication	Phosphaisonitrile umpolung - synthesis and reactivity of chloro aminophosphino carbynes.
Authors of publication	Colebatch, Annie L.; Frogley, Benjamin J.; Hill, Anthony F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	28
Pages of publication	10628 - 10641
a	11.0365 ± 0.0004 Å
b	11.7052 ± 0.0003 Å
c	12.2565 ± 0.0003 Å
α	81.005 ± 0.002°
β	77.156 ± 0.003°
γ	75.95 ± 0.003°
Cell volume	1488.75 ± 0.08 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1013
Weighted residual factors for all reflections included in the refinement	0.1029
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
223769 (current)	2019-11-07	cif/ Updating files of 1551229, 1551230, 1551231, 1551232, 1551233 Original log message: Adding full bibliography for 1551229--1551233.cif.	1551230.cif
215698	2019-06-05	cif/ Adding structures of 1551229, 1551230, 1551231, 1551232, 1551233 via cif-deposit CGI script.	1551230.cif