Crystallography Open Database

Information card for entry 7245764

Preview

Coordinates	7245764.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 N3
Calculated formula	C21 H19 N3
SMILES	N(c1ccccc1)(C)Cc1n2c(nc1c1ccccc1)cccc2
Title of publication	Switchable electrooxidative N-methyl amines: access to C3-aminomethylated and C3-arylmethylated imidazo[1,2-a] pyridines
Authors of publication	Li, Sifeng; Wang, Taimin; Li, Xingchen; Fang, Lijing; Zhai, Hongbin; Cheng, Bin
Journal of publication	Green Chemistry
Year of publication	2022
Journal volume	24
Journal issue	24
Pages of publication	9482 - 9488
a	8.365 ± 0.004 Å
b	10.655 ± 0.005 Å
c	10.809 ± 0.005 Å
α	115.055 ± 0.014°
β	99.78 ± 0.014°
γ	98.016 ± 0.015°
Cell volume	835.6 ± 0.7 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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	0.0676
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1352
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
280176 (current)	2023-01-06	cif/ Updating files of 7245762, 7245763, 7245764 Original log message: Adding full bibliography for 7245762--7245764.cif.	7245764.cif
278955	2022-11-06	cif/ Adding structures of 7245762, 7245763, 7245764 via cif-deposit CGI script.	7245764.cif