Crystallography Open Database

Information card for entry 7108444

Preview

Coordinates	7108444.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H13 B Cl2 F18 O
Calculated formula	C35 H13 B Cl2 F18 O
SMILES	O(c1ccc(cc1)C(\c1ccc(cc1)C(F)(F)F)=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)C.C(Cl)Cl
Title of publication	Facile synthesis of electrophilic vinyl boranes: reactions of alkynyl-borates and diazonium salts
Authors of publication	Xiaoxi Zhao; Liyuan Liang; Douglas W. Stephan
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	10189
a	12.2093 ± 0.0004 Å
b	13.0466 ± 0.0004 Å
c	22.3254 ± 0.0007 Å
α	90°
β	105.05 ± 0.002°
γ	90°
Cell volume	3434.23 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0927
Residual factor for significantly intense reflections	0.0669
Weighted residual factors for significantly intense reflections	0.1887
Weighted residual factors for all reflections included in the refinement	0.2139
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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