Crystallography Open Database

Information card for entry 1554249

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Structure parameters

Formula	C32 H27 N3 O
Calculated formula	C32 H27 N3 O
SMILES	c1(ccc(n1c1ccc(cc1)c1ccc(cc1)C#N)c1ccccc1)c1ccccc1.N(C)(C)C=O
Title of publication	A novel strategy for realizing dual state fluorescence and low-temperature phosphorescence
Authors of publication	Lei, Yunxiang; Dai, Wenbo; Liu, Zhiqi; Guo, Shuai; Cai, Zhengxu; Shi, Jianbing; Zheng, Xiaoyan; Zhi, Junge; Tong, Bin; Dong, Yuping
Journal of publication	Materials Chemistry Frontiers
Year of publication	2019
Journal volume	3
Journal issue	2
Pages of publication	284
a	23.528 ± 0.005 Å
b	6.0582 ± 0.0012 Å
c	17.914 ± 0.004 Å
α	90°
β	93.56 ± 0.03°
γ	90°
Cell volume	2548.5 ± 0.9 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153.15 K
Number of distinct elements	4
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	0.2738
Residual factor for significantly intense reflections	0.2562
Weighted residual factors for significantly intense reflections	0.6218
Weighted residual factors for all reflections included in the refinement	0.631
Goodness-of-fit parameter for all reflections included in the refinement	2.771
Diffraction radiation wavelength	0.71073 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.	1554249.cif
237061	2019-11-24	cif/ Adding structures of 1554245, 1554246, 1554247, 1554248, 1554249, 1554250 via cif-deposit CGI script.	1554249.cif