Information card for entry 1557215

Structure parameters

• Formula: C29 H21 N
• Calculated formula: C29 H21 N
• SMILES: n1cccc(/C=C/c2cc(/C=C/c3c4ccccc4cc4ccccc34)ccc2)c1
• 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: 5.5332 ± 0.001 Å
• b: 11.857 ± 0.002 Å
• c: 31.179 ± 0.006 Å
• α: 90°
• β: 90.172 ± 0.003°
• γ: 90°
• Cell volume: 2045.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0824
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No