Information card for entry 7234137

Structure parameters

• Formula: C28 H21 N O
• Calculated formula: C28 H21 N O
• Title of publication: Polymorphic crystals and their luminescence switching of triphenylacrylonitrile derivatives upon solvent vapour, mechanical, and thermal stimuli
• Authors of publication: Yujian Zhang; Qingbao Song; Kai Wang; Wengang Mao; Feng Cao; Jingwei Sun; Lingling Zhan; Yaokang Lv; Yuguang Ma; Bo Zou; Cheng Zhang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 3049 - 3054
• a: 9.9696 ± 0.0001 Å
• b: 43.1553 ± 0.0003 Å
• c: 10.0811 ± 0.0001 Å
• α: 90°
• β: 98.764 ± 0.001°
• γ: 90°
• Cell volume: 4286.66 ± 0.07 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No