Crystallography Open Database

Information card for entry 7251164

Preview

Coordinates	7251164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H26 N2 O2
Calculated formula	C36 H26 N2 O2
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	13.8579 ± 0.0005 Å
b	10.9972 ± 0.0005 Å
c	8.7947 ± 0.0004 Å
α	90°
β	102.687 ± 0.002°
γ	90°
Cell volume	1307.57 ± 0.1 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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	0.1129
Residual factor for significantly intense reflections	0.0984
Weighted residual factors for significantly intense reflections	0.2816
Weighted residual factors for all reflections included in the refinement	0.297
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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.	7251164.cif
303111	2025-10-31	cif/ Adding structures of 7251160, 7251161, 7251162, 7251163, 7251164 via cif-deposit CGI script.	7251164.cif