Crystallography Open Database

Information card for entry 7156148

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Structure parameters

Formula	C17 H14 N2 O S
Calculated formula	C17 H14 N2 O S
Title of publication	Regioselective construction of 1,3-diaryl tetrahydroindazolones via the three-component reaction of 1,3-cyclohexanediones, β-nitrostyrenes and arylhydrazines.
Authors of publication	Wang, Ting; Qing, Xushun; Dai, Chenlu; Su, Zhenjie; Wang, Cunde
Journal of publication	Organic & biomolecular chemistry
Year of publication	2018
Journal volume	16
Journal issue	14
Pages of publication	2456 - 2463
a	31.267 ± 0.008 Å
b	8.132 ± 0.003 Å
c	22.702 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	5772 ± 3 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.2036
Residual factor for significantly intense reflections	0.0799
Weighted residual factors for significantly intense reflections	0.1818
Weighted residual factors for all reflections included in the refinement	0.2381
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
301861 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure.	7156148.cif
230790	2019-11-17	cif/ Updating files of 7156146, 7156147, 7156148 Original log message: Adding full bibliography for 7156146--7156148.cif.	7156148.cif
206926	2018-03-13	cif/ Adding structures of 7156146, 7156147, 7156148 via cif-deposit CGI script.	7156148.cif