Crystallography Open Database

Information card for entry 7712671

Preview

Coordinates	7712671.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H28 B F15 N P
Calculated formula	C45 H28 B F15 N P
SMILES	[P+]1(N(CC)CC)(C(=C\[B](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)\c2ccc(cc2)C)C2c3c(C1c1c2cccc1)cccc3
Title of publication	Reactive FLP-alkyne addition products: strategy to anionic and zwitterionic phosphines
Authors of publication	Kim, Hyehwang; Stephan, Douglas W.
Journal of publication	Dalton Transactions
Year of publication	2023
a	10.9807 ± 0.0008 Å
b	17.4205 ± 0.0011 Å
c	21.3172 ± 0.0013 Å
α	90°
β	90.842 ± 0.003°
γ	90°
Cell volume	4077.3 ± 0.5 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0755
Residual factor for significantly intense reflections	0.0455
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282059 (current)	2023-03-25	cif/ Adding structures of 7712668, 7712669, 7712670, 7712671 via cif-deposit CGI script.	7712671.cif