Information card for entry 4003185

Structure parameters

• Formula: C44 H36
• Calculated formula: C44 H36
• SMILES: C(=C1c2ccccc2C(=C(c2ccc(cc2)C)c2ccc(cc2)C)c2ccccc12)(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: 10.4082 ± 0.0013 Å
• b: 10.5164 ± 0.0014 Å
• c: 29.494 ± 0.004 Å
• α: 90°
• β: 93.522 ± 0.002°
• γ: 90°
• Cell volume: 3222.2 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No