Information card for entry 1557213

Structure parameters

• Formula: C29 H21 N
• Calculated formula: C29 H21 N
• SMILES: n1cc(/C=C/c2cccc(/C=C/c3c4ccccc4cc4c3cccc4)c2)ccc1
• Title of publication: Polymorph-Dependent Multicolor-Switchable Mechanofluorochromism of 1-(9-Anthryl)vinyl-3-(3-pyridyl)vinylbenzene: Molecular Conformation versus Intermolecular Interaction
• Authors of publication: Li, Ye-Xin; Chen, You-Gui; Yu, Zhen-Feng; Yang, Xiao-Feng; Nie, Yong; Cui, Yu; Sun, Guo-Xin
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2020
• a: 16.841 ± 0.002 Å
• b: 5.9463 ± 0.0012 Å
• c: 21.001 ± 0.004 Å
• α: 90°
• β: 96.31 ± 0.013°
• γ: 90°
• Cell volume: 2090.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.1752
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.207
• Weighted residual factors for all reflections included in the refinement: 0.2621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No