Crystallography Open Database

Information card for entry 7063080

Preview

Coordinates	7063080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 N O
Calculated formula	C19 H17 N O
SMILES	c1cccc2cc(cnc12)C(=O)c1c(cc(cc1C)C)C
Title of publication	Lewis acid-mediated modular route to the synthesis of 3-substituted quinolines from 2-aminobenzyl alcohols and enamine(one)s
Authors of publication	Ghosh, Aritra; Upadhyay, Samridhi; Dahatonde, Dipak J.; Kant, Ruchir; Batra, Sanjay
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	15
Pages of publication	6902 - 6910
a	11.363 ± 0.002 Å
b	10.957 ± 0.002 Å
c	12.286 ± 0.003 Å
α	90°
β	95.46 ± 0.008°
γ	90°
Cell volume	1522.7 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0747
Residual factor for significantly intense reflections	0.0605
Weighted residual factors for significantly intense reflections	0.151
Weighted residual factors for all reflections included in the refinement	0.1579
Goodness-of-fit parameter for all reflections included in the refinement	0.935
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291678 (current)	2024-05-05	cif/ Updating files of 7063080 Original log message: Adding full bibliography for 7063080.cif.	7063080.cif
290436	2024-03-12	cif/ Adding structures of 7063080 via cif-deposit CGI script.	7063080.cif