Crystallography Open Database

Information card for entry 7205919

7205918 << 7205919 >> 7205920

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Coordinates	7205919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H16 N2
Calculated formula	C24 H16 N2
SMILES	c1c(/C(=C/c2ccccc2)C#N)ccc(c1)C(=C\c1ccccc1)\C#N
Title of publication	Polymorphic and mechanochromic luminescence modulation in the highly emissive dicyanodistyrylbenzene crystal: secondary bonding interaction in molecular stacking assembly
Authors of publication	Yoon, Seong-Jun; Park, SooYoung
Journal of publication	Journal of Materials Chemistry
Year of publication	2011
Journal volume	21
Journal issue	23
Pages of publication	8338
a	6.8239 ± 0.0004 Å
b	7.2324 ± 0.0003 Å
c	35.2082 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	1737.64 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	3
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	0.0665
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1319
Weighted residual factors for all reflections included in the refinement	0.1538
Goodness-of-fit parameter for all reflections included in the refinement	1.14
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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