Information card for entry 7243051

Structure parameters

• Chemical name: 9-(phenylethynyl)anthracene
• Formula: C22 H14
• Calculated formula: C22 H14
• SMILES: c12ccccc1cc1ccccc1c2C#Cc1ccccc1
• Title of publication: Supramolecular complex strategy for pure organic multi-color luminescent materials and stimuli-responsive luminescence switching
• Authors of publication: Shen, Yue; Wang, Shiyin; Zhang, Xiangyu; Li, Nan; Liu, Haichao; Yang, Bing
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 34
• Pages of publication: 5918 - 5924
• a: 16.9 ± 0.002 Å
• b: 5.571 ± 0.0007 Å
• c: 16.42 ± 0.002 Å
• α: 90°
• β: 96.441 ± 0.004°
• γ: 90°
• Cell volume: 1536.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• 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: 0.1999
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.3051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No