Crystallography Open Database

Information card for entry 7157349

Preview

Coordinates	7157349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H21 N
Calculated formula	C16 H21 N
SMILES	n1c(c(cc2c1cc(c(c2)C)C)CC)CCC
Title of publication	Reaction behaviour of arylamines with nitroalkenes in the presence of bismuth(iii) triflate: an easy access to 2,3-dialkylquinolines.
Authors of publication	Ali, Saghir; Gattu, Radhakrishna; Singh, Varun; Mondal, Santa; Khan, Abu T.; Dubey, Gurudutt; Bharatam, P. V.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2020
Journal volume	18
Journal issue	9
Pages of publication	1785 - 1793
a	7.4928 ± 0.0007 Å
b	8.7755 ± 0.0011 Å
c	11.1633 ± 0.0011 Å
α	84.247 ± 0.009°
β	78.666 ± 0.008°
γ	76.675 ± 0.01°
Cell volume	699.17 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1153
Residual factor for significantly intense reflections	0.0588
Weighted residual factors for significantly intense reflections	0.1354
Weighted residual factors for all reflections included in the refinement	0.1794
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
257909 (current)	2020-10-06	cif/ Updating files of 7157349 Original log message: Adding full bibliography for 7157349.cif.	7157349.cif
249048	2020-03-05	cif/ Updating files of 7157349 Original log message: Adding full bibliography for 7157349.cif.	7157349.cif
248115	2020-02-13	cif/ Adding structures of 7157349 via cif-deposit CGI script.	7157349.cif