Information card for entry 1546405

Structure parameters

• Formula: C45 H38
• Calculated formula: C45 H38
• SMILES: c12ccccc1c1ccc(cc1C2(C)C)c1ccc2c(c1)C(c1c2ccc(c1)c1ccc2c(c1)C(c1c2cccc1)(C)C)(C)C
• Title of publication: Conformational Effect of Polymorphic Terfluorene on Photophysics, Crystal Morphologies, and Lasing Behaviors
• Authors of publication: Ou, Chang-Jin; Ding, Xue-Hua; Li, Yin-Xiang; Zhu, Can; Yu, Meng-Na; Xie, Ling-Hai; Lin, Jin-Yi; Xu, Chun-Xiang; Huang, Wei
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2017
• Journal volume: 121
• Journal issue: 27
• Pages of publication: 14803
• a: 8.4658 ± 0.0011 Å
• b: 16.207 ± 0.002 Å
• c: 23.382 ± 0.003 Å
• α: 90°
• β: 93.382 ± 0.003°
• γ: 90°
• Cell volume: 3202.5 ± 0.7 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 294.93 K
• Number of distinct elements: 2
• 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: 0.0793
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No