Crystallography Open Database

Information card for entry 7128818

Preview

Coordinates	7128818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H34 N4 O5
Calculated formula	C33 H34 N4 O5
Title of publication	Red fluorescent zwitterionic naphthalenediimides with di/mono-benzimidazolium and a negatively-charged oxygen substituent.
Authors of publication	Wang, Chunqin; Han, Songyan; Wang, Tianbao; Zheng, Xuesong; Zhou, Linsen; Liu, Yanhong; Zhang, Cheng; Gao, Ge
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2021
Journal volume	57
Journal issue	74
Pages of publication	9422 - 9425
a	15.0103 ± 0.0004 Å
b	12.9385 ± 0.0003 Å
c	15.5389 ± 0.0005 Å
α	90°
β	111.104 ± 0.001°
γ	90°
Cell volume	2815.41 ± 0.14 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0911
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1204
Weighted residual factors for all reflections included in the refinement	0.1383
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
269650 (current)	2021-10-06	cif/ Updating files of 7128818 Original log message: Adding full bibliography for 7128818.cif.	7128818.cif
268086	2021-08-17	cif/ Adding structures of 7128818 via cif-deposit CGI script.	7128818.cif