Information card for entry 1546406

Structure parameters

• Formula: C45 H38
• Calculated formula: C45 H38
• SMILES: c1c2c(ccc1)c1ccc(cc1C2(C)C)c1ccc2c3ccc(c4ccc5c6ccccc6C(c5c4)(C)C)cc3C(c2c1)(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: 8.6787 ± 0.0008 Å
• b: 23.1736 ± 0.0019 Å
• c: 16.1895 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3256 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298.41 K
• Number of distinct elements: 2
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No