Crystallography Open Database

Information card for entry 7158277

Preview

Coordinates	7158277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 N2 O2
Calculated formula	C22 H16 N2 O2
SMILES	O=C(c1n2c(nc1c1ccccc1)cccc2)C(=O)c1ccc(cc1)C
Title of publication	Gold-catalyzed oxidation of terminal alkynes to glyoxals and their reactions with 2-phenylimidazo[1,2-<i>a</i>]pyridines: one-pot synthesis of 1,2-diones.
Authors of publication	Liao, Shengrong; Xu, Huayan; Yang, Bin; Wang, Junfeng; Zhou, Xuefeng; Lin, Xiuping; Liu, Yonghong
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	40
Pages of publication	8735 - 8739
a	19.2136 ± 0.0002 Å
b	10.6907 ± 0.0001 Å
c	8.1348 ± 0.0001 Å
α	90°
β	98.4 ± 0.001°
γ	90°
Cell volume	1653.02 ± 0.03 Å³
Cell temperature	110 ± 15 K
Ambient diffraction temperature	110 ± 15 K
Number of distinct elements	4
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	0.0421
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.1096
Weighted residual factors for all reflections included in the refinement	0.1121
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
270508 (current)	2021-11-06	cif/ Updating files of 7158277 Original log message: Adding full bibliography for 7158277.cif.	7158277.cif
268457	2021-09-04	cif/ Adding structures of 7158277 via cif-deposit CGI script.	7158277.cif