Information card for entry 1546986

Structure parameters

• Formula: C47 H42 O0.5
• Calculated formula: C47 H42 O0.5
• SMILES: c12c3c(cc(c4cc5c(cc4)c4c(C5(C)C)cccc4)cc3)C(c2cc(cc1)c1ccc2c(C(c3c2cccc3)(C)C)c1)(C)C.C1CCCO1
• 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: 19.4248 ± 0.0014 Å
• b: 22.9964 ± 0.0016 Å
• c: 16.8921 ± 0.0013 Å
• α: 90°
• β: 112.874 ± 0.002°
• γ: 90°
• Cell volume: 6952.3 ± 0.9 ų
• Cell temperature: 285 K
• Ambient diffraction temperature: 284.98 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: 0.1815
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No