Crystallography Open Database

Information card for entry 7129494

Preview

Coordinates	7129494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H28 B N
Calculated formula	C25 H28 B N
SMILES	[n]12ccccc1c1ccccc1[B]2(c1c(cc(cc1C)C)C)C1CCCC1
Title of publication	Hydroboration of vinyl halides with mesitylborane: a direct access to (mesityl)(alkyl)haloboranes.
Authors of publication	Devillard, Marc; Cordier, Marie; Roisnel, Thierry; Dinoi, Chiara; Del Rosal, Iker; Alcaraz, Gilles
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2022
Journal volume	58
Journal issue	10
Pages of publication	1589 - 1592
a	8.4771 ± 0.0014 Å
b	20.873 ± 0.003 Å
c	11.7953 ± 0.0016 Å
α	90°
β	94.067 ± 0.005°
γ	90°
Cell volume	2081.8 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0757
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1557
Weighted residual factors for all reflections included in the refinement	0.1766
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation probe	x-ray
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
272558 (current)	2022-02-04	cif/ Updating files of 7129491, 7129492, 7129493, 7129494 Original log message: Adding full bibliography for 7129491--7129494.cif.	7129494.cif
271791	2022-01-05	cif/ Adding structures of 7129491, 7129492, 7129493, 7129494 via cif-deposit CGI script.	7129494.cif