Crystallography Open Database

Information card for entry 1553698

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Structure parameters

Formula	C22 H16 N2 O
Calculated formula	C22 H16 N2 O
SMILES	O=C(/C=C1\Nc2ccccc2N=C1c1ccccc1)c1ccccc1
Title of publication	Fluorescence visualization of crystal formation and transformation processes of organic luminogens with crystallization-induced emission characteristics
Authors of publication	Zheng, Chao; Zang, Qiguang; Nie, Han; Huang, Weitao; Zhao, Zujin; Qin, Anjun; Hu, Rongrong; Tang, Ben Zhong
Journal of publication	Materials Chemistry Frontiers
Year of publication	2018
Journal volume	2
Journal issue	1
Pages of publication	180
a	8.7512 ± 0.0009 Å
b	8.8377 ± 0.001 Å
c	11.1832 ± 0.001 Å
α	90.101 ± 0.008°
β	91.344 ± 0.008°
γ	106.984 ± 0.009°
Cell volume	826.93 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0915
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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