Crystallography Open Database

Information card for entry 7158234

Preview

Coordinates	7158234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H26 N2
Calculated formula	C20 H26 N2
Title of publication	Ruthenium(ii)-catalysed 1,2-selective hydroboration of aldazines.
Authors of publication	Pradhan, Subham; Thiyagarajan, Subramanian; Gunanathan, Chidambaram
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	33
Pages of publication	7147 - 7151
a	8.253 ± 0.0002 Å
b	8.2551 ± 0.0002 Å
c	14.7902 ± 0.0002 Å
α	94.559 ± 0.002°
β	102.195 ± 0.002°
γ	117.627 ± 0.003°
Cell volume	854.1 ± 0.04 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0614
Residual factor for significantly intense reflections	0.0602
Weighted residual factors for significantly intense reflections	0.1621
Weighted residual factors for all reflections included in the refinement	0.163
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
268934 (current)	2021-09-06	cif/ Updating files of 7158232, 7158233, 7158234 Original log message: Adding full bibliography for 7158232--7158234.cif.	7158234.cif
268005	2021-08-10	cif/ Adding structures of 7158232, 7158233, 7158234 via cif-deposit CGI script.	7158234.cif