Crystallography Open Database

Information card for entry 7250390

Preview

Coordinates	7250390.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 Cl3 N3
Calculated formula	C26 H24 Cl3 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	13.095 ± 0.003 Å
b	13.262 ± 0.003 Å
c	14.744 ± 0.003 Å
α	90°
β	104.812 ± 0.003°
γ	90°
Cell volume	2475.4 ± 0.9 Å³
Cell temperature	297.15 K
Ambient diffraction temperature	297.15 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	0.1304
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1706
Goodness-of-fit parameter for all reflections included in the refinement	0.943
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.	7250390.cif
299640	2025-05-14	cif/ Adding structures of 7250388, 7250389, 7250390, 7250391 via cif-deposit CGI script.	7250390.cif