Crystallography Open Database

Information card for entry 1570694

Preview

Coordinates	1570694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H26 B N O2
Calculated formula	C23 H26 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	7.0732 ± 0.0003 Å
b	12.8154 ± 0.0005 Å
c	12.8838 ± 0.0005 Å
α	109.101 ± 0.004°
β	103.862 ± 0.004°
γ	102.475 ± 0.004°
Cell volume	1014.75 ± 0.09 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0884
Residual factor for significantly intense reflections	0.0838
Weighted residual factors for significantly intense reflections	0.2317
Weighted residual factors for all reflections included in the refinement	0.2377
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	1570694.cif
288682	2024-01-05	cif/ Adding structures of 1570693, 1570694, 1570695, 1570696, 1570697 via cif-deposit CGI script.	1570694.cif