Crystallography Open Database

Information card for entry 1570695

Preview

Coordinates	1570695.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H28 B N O2
Calculated formula	C20 H28 B N O2
Title of publication	Ligand-controlled regiodivergent Ni-catalyzed <i>trans</i>-hydroboration/carboboration of internal alkynes with B<sub>2</sub>pin<sub>2</sub>.
Authors of publication	Chen, Zunsheng; Nie, Biao; Li, Xiaoning; Liu, Teng; Li, Chunsheng; Huang, Jiuzhong
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	6
Pages of publication	2236 - 2242
a	14.9832 ± 0.0005 Å
b	9.6904 ± 0.0004 Å
c	13.4858 ± 0.0004 Å
α	90°
β	100.376 ± 0.003°
γ	90°
Cell volume	1926.03 ± 0.12 Å³
Cell temperature	166 ± 20 K
Ambient diffraction temperature	166 ± 20 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	0.0795
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1697
Weighted residual factors for all reflections included in the refinement	0.1779
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
290125 (current)	2024-03-04	cif/ Updating files of 1570693, 1570694, 1570695, 1570696, 1570697 Original log message: Adding full bibliography for 1570693--1570697.cif.	1570695.cif
288682	2024-01-05	cif/ Adding structures of 1570693, 1570694, 1570695, 1570696, 1570697 via cif-deposit CGI script.	1570695.cif