Crystallography Open Database

Information card for entry 7242534

Preview

Coordinates	7242534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H14 N3 O S
Calculated formula	C23 H14 N3 O S
SMILES	S=C1Nc2c(C(=O)N1c1ccccc1c1nc3c(cc1)cccc3)cccc2
Title of publication	Eco-friendly construction of spiroquinazolin-2-(thi)ones and quinolin-(thio)ureas via Fe(iii)-catalyzed multi-component domino double [4 + 2] annulations
Authors of publication	Pan, Zhentao; Shi, Shuaijun; Yang, Xuancheng; Xiao, Xuqiong; Zhang, Wangqin; Wang, Shiliang; Ma, Yongmin
Journal of publication	Green Chemistry
Year of publication	2021
Journal volume	23
Journal issue	8
Pages of publication	2944 - 2949
a	13.632 ± 0.018 Å
b	13.694 ± 0.018 Å
c	22.48 ± 0.03 Å
α	98.57 ± 0.03°
β	95.81 ± 0.03°
γ	92.8 ± 0.03°
Cell volume	4120 ± 9 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2273
Residual factor for significantly intense reflections	0.0746
Weighted residual factors for significantly intense reflections	0.1651
Weighted residual factors for all reflections included in the refinement	0.2275
Goodness-of-fit parameter for all reflections included in the refinement	0.921
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
264910 (current)	2021-05-05	cif/ Updating files of 7242532, 7242533, 7242534 Original log message: Adding full bibliography for 7242532--7242534.cif.	7242534.cif
263346	2021-03-26	cif/ Adding structures of 7242532, 7242533, 7242534 via cif-deposit CGI script.	7242534.cif