Crystallography Open Database

Information card for entry 7159923

Preview

Coordinates	7159923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 N2 O4
Calculated formula	C28 H28 N2 O4
SMILES	O(c1nc(nc2c1cccc2)c1ccc(cc1)C)CCCCOC(C(=O)OC)c1ccccc1
Title of publication	Visible-light-induced three-component reactions of α-diazoesters, quinazolinones and cyclic ethers toward quinazoline-based hybrids.
Authors of publication	Liu, Yan; Yang, Qin; Wang, Wei; Fu, Yang; Ding, Qiuping; Peng, Yiyuan
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	21
Pages of publication	4332 - 4346
a	6.1921 ± 0.0006 Å
b	11.958 ± 0.0015 Å
c	32.979 ± 0.004 Å
α	90°
β	91.359 ± 0.01°
γ	90°
Cell volume	2441.2 ± 0.5 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.17
Residual factor for significantly intense reflections	0.1175
Weighted residual factors for significantly intense reflections	0.2527
Weighted residual factors for all reflections included in the refinement	0.2823
Goodness-of-fit parameter for all reflections included in the refinement	1.072
Diffraction radiation probe	x-ray
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
293285 (current)	2024-07-05	cif/ Updating files of 7159923 Original log message: Adding full bibliography for 7159923.cif.	7159923.cif
291427	2024-05-01	cif/ Adding structures of 7159923 via cif-deposit CGI script.	7159923.cif