Crystallography Open Database

Information card for entry 7239746

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Structure parameters

Formula	C22 H16 N2
Calculated formula	C22 H16 N2
Title of publication	Aggregation-induced emission compounds based on 9,10-diheteroarylanthracene and their applications in cell imaging
Authors of publication	Wang, Renjie; Liang, Yunfei; Liu, Gang; Pu, Shouzhi
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	4
Pages of publication	2170 - 2179
a	18.3966 ± 0.0019 Å
b	11.3788 ± 0.0012 Å
c	7.4311 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	1555.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1228
Weighted residual factors for all reflections included in the refinement	0.1433
Goodness-of-fit parameter for all reflections included in the refinement	0.942
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
301866 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure.	7239746.cif
258037	2020-10-06	cif/ Updating files of 7239744, 7239745, 7239746, 7239747 Original log message: Adding full bibliography for 7239744--7239747.cif.	7239746.cif
246731	2020-01-11	cif/ Adding structures of 7239744, 7239745, 7239746, 7239747 via cif-deposit CGI script.	7239746.cif