Information card for entry 1553475

Structure parameters

• Formula: C32 H24
• Calculated formula: C32 H24
• SMILES: C(=C(c1ccccc1)c1ccccc1)(c1c(cccc1)c1ccccc1)c1ccccc1
• 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: 9.4248 ± 0.0007 Å
• b: 9.6366 ± 0.0007 Å
• c: 25.0543 ± 0.0016 Å
• α: 90°
• β: 94.474 ± 0.002°
• γ: 90°
• Cell volume: 2268.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0816
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No