Crystallography Open Database

Information card for entry 7251160

Preview

Coordinates	7251160.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H17 N O
Calculated formula	C23 H17 N O
Title of publication	Supramolecular dual-synthon in cocrystals of 1-azaanthracene and naphthols: cooperation between hydrogen bonds and cation–π interactions
Authors of publication	Yamada, Shinji; Akazawa, Rika; Chida, Moemi
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	46
Pages of publication	7491 - 7497
a	11.9255 ± 0.0003 Å
b	8.1437 ± 0.0002 Å
c	34.919 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	3391.25 ± 0.15 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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	0.1121
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.1922
Weighted residual factors for all reflections included in the refinement	0.2424
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
303698 (current)	2025-11-29	cif/ Updating files of 7251160, 7251161, 7251162, 7251163, 7251164 Original log message: Adding full bibliography for 7251160--7251164.cif.	7251160.cif
303111	2025-10-31	cif/ Adding structures of 7251160, 7251161, 7251162, 7251163, 7251164 via cif-deposit CGI script.	7251160.cif