Crystallography Open Database

Information card for entry 1541895

Preview

Coordinates	1541895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 N2
Calculated formula	C15 H16 N2
SMILES	[nH]1c2ccc(c(C3CCCCC3)c2cc1)C#N
Title of publication	Radical-based regioselective cross-coupling of indoles and cycloalkanes
Authors of publication	Xiu, Jianmin; Yi, Wenbin
Journal of publication	Catal. Sci. Technol.
Year of publication	2016
Journal volume	6
Journal issue	4
Pages of publication	998
a	15.783 ± 0.003 Å
b	12.467 ± 0.002 Å
c	12.928 ± 0.002 Å
α	90°
β	102.277 ± 0.003°
γ	90°
Cell volume	2485.6 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.0663
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1028
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
177624 (current)	2016-03-05	cif/ Updating files of 1541895 Original log message: Adding full bibliography for 1541895.cif.	1541895.cif
173509	2016-01-06	cif/ Adding structures of 1541895 via cif-deposit CGI script.	1541895.cif