Information card for entry 4003183

Structure parameters

• Formula: C44 H36
• Calculated formula: C44 H36
• SMILES: Cc1ccc(cc1)C(c1ccc(cc1)C)=C1c2ccccc2C(c2c1cccc2)=C(c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Polymorphism-Dependent and Switchable Emission of Butterfly-Like Bis(diarylmethylene)dihydroanthracenes
• Authors of publication: He, Zikai; Zhang, Liuqing; Mei, Ju; Zhang, Tian; Lam, Jacky W. Y.; Shuai, Zhigang; Dong, Yong Qiang; Tang, Ben Zhong
• Journal of publication: Chemistry of Materials
• Year of publication: 2015
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 6601
• a: 10.4299 ± 0.0016 Å
• b: 11.9506 ± 0.0018 Å
• c: 13.855 ± 0.002 Å
• α: 99.954 ± 0.003°
• β: 101.968 ± 0.003°
• γ: 107.734 ± 0.003°
• Cell volume: 1556.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No