Crystallography Open Database

Information card for entry 7250665

Preview

Coordinates	7250665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H50 N4 O9
Calculated formula	C48 H50 N4 O9
Title of publication	Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange
Authors of publication	Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	29
Pages of publication	5003 - 5009
a	16.4443 ± 0.0005 Å
b	16.6197 ± 0.0005 Å
c	17.6078 ± 0.0006 Å
α	113.668 ± 0.002°
β	105.994 ± 0.002°
γ	92.943 ± 0.002°
Cell volume	4164.5 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1505
Residual factor for significantly intense reflections	0.0918
Weighted residual factors for significantly intense reflections	0.2143
Weighted residual factors for all reflections included in the refinement	0.2668
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301558 (current)	2025-08-06	cif/ Updating files of 7250664, 7250665, 7250666, 7250667, 7250668, 7250669 Original log message: Adding full bibliography for 7250664--7250669.cif.	7250665.cif
301217	2025-07-11	cif/ Adding structures of 7250664, 7250665, 7250666, 7250667, 7250668, 7250669 via cif-deposit CGI script.	7250665.cif