Crystallography Open Database

Information card for entry 7247900

Preview

Coordinates	7247900.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H18 N2
Calculated formula	C23 H18 N2
SMILES	n12c(c3ccc(C)cc3)c(nc2cccc1)C#Cc1ccc(C)cc1
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	9.6958 ± 0.0004 Å
b	12.8863 ± 0.0005 Å
c	14.1978 ± 0.0005 Å
α	95.348 ± 0.002°
β	91.322 ± 0.002°
γ	97.198 ± 0.002°
Cell volume	1751.19 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0604
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1171
Weighted residual factors for all reflections included in the refinement	0.1344
Goodness-of-fit parameter for all reflections included in the refinement	1.08
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
292638 (current)	2024-06-28	cif/7: Fixing Z values and formulae	7247900.cif
290220	2024-03-04	cif/ Updating files of 7247899, 7247900, 7247901, 7247902, 7247903 Original log message: Adding full bibliography for 7247899--7247903.cif.	7247900.cif
288499	2023-12-22	cif/ Adding structures of 7247899, 7247900, 7247901, 7247902, 7247903 via cif-deposit CGI script.	7247900.cif