Crystallography Open Database

Information card for entry 7160366

Preview

Coordinates	7160366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H30 N4 O
Calculated formula	C25 H30 N4 O
Title of publication	Axially chiral dimethylaminobenzimidazoles and their preliminary evaluation as acyl-transfer reagents.
Authors of publication	Toman, Daniel; Nemec, Ivan; Kurka, Ondřej; Přibylka, Adam; Cankař, Petr
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	11
Pages of publication	2672 - 2682
a	7.455 ± 0.0002 Å
b	13.9094 ± 0.0002 Å
c	10.4634 ± 0.0002 Å
α	90°
β	93.455 ± 0.002°
γ	90°
Cell volume	1083.03 ± 0.04 Å³
Cell temperature	89.9 ± 0.4 K
Ambient diffraction temperature	89.9 ± 0.4 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0942
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
299129 (current)	2025-04-05	cif/ Updating files of 7160364, 7160365, 7160366, 7160367 Original log message: Adding full bibliography for 7160364--7160367.cif.	7160366.cif
297628	2025-02-07	cif/ Adding structures of 7160364, 7160365, 7160366, 7160367 via cif-deposit CGI script.	7160366.cif