Crystallography Open Database

Information card for entry 7229621

Preview

Coordinates	7229621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H16 F N
Calculated formula	C22 H16 F N
SMILES	n1c2c(c(cc1c1ccc(F)cc1)c1ccccc1)cccc2C
Title of publication	Brønsted acid-catalyzed metal- and solvent-free quinoline synthesis fromN-alkyl anilines and alkynes or alkenes
Authors of publication	Ahmed, Waqar; Zhang, Sheng; Yu, Xiaoqiang; Yamamoto, Yoshinori; Bao, Ming
Journal of publication	Green Chemistry
Year of publication	2018
Journal volume	20
Journal issue	1
Pages of publication	261
a	19.293 ± 0.004 Å
b	7.2555 ± 0.0014 Å
c	23.177 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	3244.3 ± 1.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.1207
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1157
Weighted residual factors for all reflections included in the refinement	0.1482
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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