Crystallography Open Database

Information card for entry 7108442

Preview

Coordinates	7108442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H9 B Cl F15
Calculated formula	C32 H9 B Cl F15
SMILES	Clc1ccc(/C(=C(/c2c(F)c(F)c(F)c(F)c2F)B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c2ccccc2)cc1
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	7.634 ± 0.0005 Å
b	33.9056 ± 0.0019 Å
c	11.213 ± 0.0007 Å
α	90°
β	99.018 ± 0.003°
γ	90°
Cell volume	2866.4 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
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	0.1563
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.1927
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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