Crystallography Open Database

Information card for entry 7233549

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Structure parameters

Formula	C19 H13 N3 O
Calculated formula	C19 H13 N3 O
SMILES	o1c(c2ccc(/N=C/c3ccncc3)cc2)nc2c1cccc2
Title of publication	Schiff base particles with aggregation-induced enhanced emission: random aggregation preventing pi-pi stacking
Authors of publication	Lianke Wang; Zheng Zheng; Zhipeng Yu; Jun Zheng; Min Fang; Jieying Wu; Yupeng Tian; Hongping Zhou
Journal of publication	Journal of Materials Chemistry C
Year of publication	2012
Journal volume	1
Pages of publication	6952 - 6959
a	10.969 ± 0.005 Å
b	7.342 ± 0.005 Å
c	36.533 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	90 ± 0.005°
Cell volume	2942 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0457
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.1133
Weighted residual factors for all reflections included in the refinement	0.1275
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	0.71069 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.	7233549.cif
217828	2019-08-29	cif/ Adding structures of 7233549 via cif-deposit CGI script.	7233549.cif