Crystallography Open Database

Information card for entry 7247903

Preview

Coordinates	7247903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 N2
Calculated formula	C22 H16 N2
SMILES	c1(c(c2ccccc2)n2cc(ccc2n1)C)C#Cc1ccccc1
Title of publication	Visible light-mediated copper catalyzed regioselective diamination of terminal alkynes at room temperature: a facile synthesis of substituted imidazo[1,2-α]pyridines
Authors of publication	Charpe, Vaibhav Pramod; Gupta, Mahima; Hwang, Kuo Chu
Journal of publication	Green Chemistry
Year of publication	2024
Journal volume	26
Journal issue	3
Pages of publication	1329 - 1337
a	16.7695 ± 0.0005 Å
b	8.6997 ± 0.0003 Å
c	11.0836 ± 0.0003 Å
α	90°
β	91.718 ± 0.003°
γ	90°
Cell volume	1616.26 ± 0.09 Å³
Cell temperature	100 ± 0.11 K
Ambient diffraction temperature	100 ± 0.11 K
Number of distinct elements	3
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	0.044
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
298703 (current)	2025-04-03	cif/7: Fixing Z values and formulae	7247903.cif
290220	2024-03-04	cif/ Updating files of 7247899, 7247900, 7247901, 7247902, 7247903 Original log message: Adding full bibliography for 7247899--7247903.cif.	7247903.cif
288499	2023-12-22	cif/ Adding structures of 7247899, 7247900, 7247901, 7247902, 7247903 via cif-deposit CGI script.	7247903.cif