Crystallography Open Database

Information card for entry 7250388

Preview

Coordinates	7250388.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H15 N3
Calculated formula	C17 H15 N3
Title of publication	Visible-light-induced selenium-mediated cascade cyclization of 2-isocyanobenzonitriles with secondary amines to access indole-fused polycyclics
Authors of publication	Xu, Dongping; Jin, Lizhen; Huang, Mengya; Zhang, Wu
Journal of publication	Green Chemistry
Year of publication	2025
Journal volume	27
Journal issue	23
Pages of publication	6880 - 6886
a	6.1053 ± 0.0013 Å
b	13.209 ± 0.003 Å
c	16.219 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1308 ± 0.5 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	3
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1177
Weighted residual factors for all reflections included in the refinement	0.1328
Goodness-of-fit parameter for all reflections included in the refinement	0.8525
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
301017 (current)	2025-07-06	cif/ Updating files of 7250388, 7250389, 7250390, 7250391 Original log message: Adding full bibliography for 7250388--7250391.cif.	7250388.cif
299640	2025-05-14	cif/ Adding structures of 7250388, 7250389, 7250390, 7250391 via cif-deposit CGI script.	7250388.cif