Crystallography Open Database

Information card for entry 1557790

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Structure parameters

Formula	C43 H39 B F4 N2 O2
Calculated formula	C43 H39 B F4 N2 O2
Title of publication	One stone, three birds: one AIEgen with three colors for fast differentiation of three pathogens
Authors of publication	Zhou, Chengcheng; Jiang, Meijuan; Du, Jian; Bai, Haotian; Shan, Guogang; Kwok, Ryan T. K.; Chau, Joe H. C.; Zhang, Jun; Lam, Jacky W. Y.; Huang, Peng; Tang, Ben Zhong
Journal of publication	Chemical Science
Year of publication	2020
Journal volume	11
Journal issue	18
Pages of publication	4730 - 4740
a	14.502 ± 0.0012 Å
b	12.866 ± 0.0009 Å
c	20.32 ± 0.0019 Å
α	90°
β	106.828 ± 0.005°
γ	90°
Cell volume	3629 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.205
Residual factor for significantly intense reflections	0.0914
Weighted residual factors for significantly intense reflections	0.2067
Weighted residual factors for all reflections included in the refinement	0.242
Goodness-of-fit parameter for all reflections included in the refinement	1.156
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301780 (current)	2025-08-19	Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure.	1557790.cif
257391	2020-10-06	cif/ Updating files of 1557790 Original log message: Adding full bibliography for 1557790.cif.	1557790.cif
252742	2020-06-05	cif/ Updating files of 1557790 Original log message: Adding full bibliography for 1557790.cif.	1557790.cif
250754	2020-04-15	cif/ Adding structures of 1557790 via cif-deposit CGI script.	1557790.cif