Crystallography Open Database

Information card for entry 7157503

Preview

Coordinates	7157503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 B N O2
Calculated formula	C14 H18 B N O2
Title of publication	Visible-light-mediated borylation of aryl and alkyl halides with a palladium complex.
Authors of publication	Zhao, Jia-Hui; Zhou, Zhao-Zhao; Zhang, Yue; Su, Xuan; Chen, Xi-Meng; Liang, Yong-Min
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	23
Pages of publication	4390 - 4394
a	10.372 ± 0.0003 Å
b	12.8487 ± 0.0004 Å
c	21.0007 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2798.69 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0613
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.1471
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
257924 (current)	2020-10-06	cif/ Updating files of 7157503, 7157570 Original log message: Adding full bibliography for 7157503--7157570.cif.	7157503.cif
253990	2020-07-06	cif/ Updating files of 7157503 Original log message: Adding full bibliography for 7157503.cif.	7157503.cif
252084	2020-05-16	cif/ Adding structures of 7157503 via cif-deposit CGI script.	7157503.cif