Crystallography Open Database

Information card for entry 7158286

Preview

Coordinates	7158286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H14 N2 O2
Calculated formula	C19 H14 N2 O2
SMILES	O(C)c1cc2nc3/C(=C/c4ccccc4)NC(=O)c3cc2cc1
Title of publication	Sodium sulphide promoted synthesis of fused quinoline at room temperature.
Authors of publication	Singh, Rashmi; Sharma, Vishal Prasad; Yadav, Priyanka; Sonker, Priyanka; Singh, Radhey Mohan; Tewari, Ashish Kumar
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	37
Pages of publication	8108 - 8112
a	29.725 ± 0.002 Å
b	29.725 ± 0.002 Å
c	7.0358 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	6216.7 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1242
Residual factor for significantly intense reflections	0.0587
Weighted residual factors for significantly intense reflections	0.1524
Weighted residual factors for all reflections included in the refinement	0.1871
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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
269775 (current)	2021-10-06	cif/ Updating files of 7158285, 7158286 Original log message: Adding full bibliography for 7158285--7158286.cif.	7158286.cif
269077	2021-09-10	cif/ Adding structures of 7158285, 7158286 via cif-deposit CGI script.	7158286.cif