Crystallography Open Database

Information card for entry 7062833

Preview

Coordinates	7062833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H12 Cl N3 O S
Calculated formula	C23 H12 Cl N3 O S
Title of publication	Photo-promoted cascade cyclization of aryl alkynes: access to thiocyanate/trifluoromethylthio-containing quinolino[2,1-b]quinazolinones
Authors of publication	Fan, Jie; Yan, Qinqin; Liu, Huaqing; Li, Lijun; Liu, Zhong-Quan; Li, Zejiang
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	45
Pages of publication	20713 - 20717
a	8.2573 ± 0.0003 Å
b	11.1099 ± 0.0004 Å
c	11.4634 ± 0.0004 Å
α	95.39 ± 0.001°
β	107.932 ± 0.001°
γ	109.859 ± 0.001°
Cell volume	917.59 ± 0.06 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.1343
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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