Crystallography Open Database

Information card for entry 7712669

Preview

Coordinates	7712669.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H43 B F15 N P2 Si
Calculated formula	C42 H43 B F15 N P2 Si
SMILES	P(C(=C\[B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)\c1ccc(cc1)C)(N(CC)CC)/C(=C\[P+](CC)(CC)CC)[Si](C)(C)C
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	11.5413 ± 0.0019 Å
b	11.8581 ± 0.0019 Å
c	17.844 ± 0.002 Å
α	89.525 ± 0.007°
β	72.331 ± 0.006°
γ	69.494 ± 0.008°
Cell volume	2166.3 ± 0.6 Å³
Cell temperature	186.82 K
Ambient diffraction temperature	186.82 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	0.1015
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1621
Weighted residual factors for all reflections included in the refinement	0.1884
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	7712669.cif