Crystallography Open Database

Information card for entry 7712668

Preview

Coordinates	7712668.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H50 B F15 P2
Calculated formula	C61 H50 B F15 P2
SMILES	P([P+](C)(C)C)(/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)c1c(c2c(cc(cc2C)C)C)cccc1c1c(C)cc(cc1C)C.c1cc(C)ccc1
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	12.8941 ± 0.0018 Å
b	14.241 ± 0.002 Å
c	16.718 ± 0.002 Å
α	102.523 ± 0.009°
β	105.847 ± 0.009°
γ	106.974 ± 0.009°
Cell volume	2673.8 ± 0.7 Å³
Cell temperature	149.99 K
Ambient diffraction temperature	149.99 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1911
Residual factor for significantly intense reflections	0.1309
Weighted residual factors for significantly intense reflections	0.3459
Weighted residual factors for all reflections included in the refinement	0.3844
Goodness-of-fit parameter for all reflections included in the refinement	1.079
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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