Information card for entry 1553474

Structure parameters

• Formula: C36 H26
• Calculated formula: C36 H26
• SMILES: C(=C(c1ccccc1)c1ccccc1)(c1ccccc1)c1c(cccc1)c1ccc2c(c1)cccc2
• Title of publication: Synthesis, structure and optical properties of tetraphenylethene derivatives with through-space conjugation between benzene and various planar chromophores
• Authors of publication: He, Bairong; Nie, Han; Luo, Wenwen; Hu, Rongrong; Qin, Anjun; Zhao, Zujin; Tang, Ben Zhong
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 1091
• a: 9.2253 ± 0.0012 Å
• b: 12.0172 ± 0.0019 Å
• c: 12.8207 ± 0.0016 Å
• α: 65.023 ± 0.014°
• β: 76.245 ± 0.011°
• γ: 83.655 ± 0.012°
• Cell volume: 1251.4 ± 0.3 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 2
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No