Crystallography Open Database

Information card for entry 7057533

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Coordinates	7057533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 N2 O
Calculated formula	C14 H12 N2 O
Title of publication	Aggregation-induced ratiometric emission and mechanochromic luminescence in a pyrene-benzohydrazonate conjugate
Authors of publication	Li, Yao; Huang, Wei; Yong, Juan; Huang, Shuaidan; Li, Yujie; Liu, Yang; Wu, Dayu
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	15
Pages of publication	12644
a	8.7913 ± 0.0007 Å
b	10.4651 ± 0.0008 Å
c	13.1287 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	1207.86 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0435
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.0984
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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