Information card for entry 1546404

Structure parameters

• Formula: C45.5 H38.5 Cl1.5
• Calculated formula: C45.5 H38.5 Cl1.5
• SMILES: c12c(c3ccccc3C2(C)C)ccc(c2cc3c(c4c(cc(cc4)c4ccc5c6c(C(c5c4)(C)C)cccc6)C3(C)C)cc2)c1.ClC(Cl)Cl
• 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: 19.532 ± 0.002 Å
• b: 22.819 ± 0.003 Å
• c: 16.8357 ± 0.0018 Å
• α: 90°
• β: 113.707 ± 0.002°
• γ: 90°
• Cell volume: 6870.5 ± 1.4 ų
• Cell temperature: 102 K
• Ambient diffraction temperature: 102.02 K
• Number of distinct elements: 3
• 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: 0.0734
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No