Crystallography Open Database

Information card for entry 7242555

Preview

Coordinates	7242555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H30 N6 O6
Calculated formula	C34 H30 N6 O6
Title of publication	The modulation effect of electron-rich solvents on the supramolecular networks and photochromic properties of naphthalene diimide molecules
Authors of publication	Zhu, Huihui; Hao, Pengfei; Shen, Qiu; Shen, Junju; Li, Gaopeng; Zhao, Guozheng; Xing, Haoyu; Fu, Yunlong
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	18
Pages of publication	3356 - 3363
a	5.3112 ± 0.0014 Å
b	23.855 ± 0.007 Å
c	11.619 ± 0.003 Å
α	90°
β	99.885 ± 0.008°
γ	90°
Cell volume	1450.3 ± 0.7 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 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	0.1801
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1169
Weighted residual factors for all reflections included in the refinement	0.1478
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
265983 (current)	2021-06-05	cif/ Updating files of 7242552, 7242553, 7242554, 7242555 Original log message: Adding full bibliography for 7242552--7242555.cif.	7242555.cif
263422	2021-03-30	cif/ Adding structures of 7242552, 7242553, 7242554, 7242555 via cif-deposit CGI script.	7242555.cif