Crystallography Open Database

Information card for entry 7235870

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Coordinates	7235870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 N6
Calculated formula	C28 H22 N6
Title of publication	Distinct optical and kinetic responses from E/Z isomers of caspase probes with aggregation-induced emission characteristics
Authors of publication	Liang, Jing; Shi, Haibin; Kwok, Ryan T. K.; Gao, Meng; Yuan, Youyong; Zhang, Wenhua; Tang, Ben Zhong; Liu, Bin
Journal of publication	J. Mater. Chem. B
Year of publication	2014
Journal volume	2
Journal issue	27
Pages of publication	4363
a	10.4162 ± 0.0008 Å
b	11.3223 ± 0.0008 Å
c	11.4154 ± 0.0008 Å
α	117.225 ± 0.001°
β	102.711 ± 0.001°
γ	91.607 ± 0.001°
Cell volume	1154.87 ± 0.15 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0731
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1546
Weighted residual factors for all reflections included in the refinement	0.1637
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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