Information card for entry 1553478

Structure parameters

• Formula: C42 H28
• Calculated formula: C42 H28
• SMILES: C(=C(c1ccccc1)c1ccccc1)(c1ccccc1)c1c(c2ccc3c4c2ccc2c4c(cc3)ccc2)cccc1
• 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: 9.5798 ± 0.0002 Å
• b: 10.2198 ± 0.0003 Å
• c: 29.4004 ± 0.0008 Å
• α: 90°
• β: 96.324 ± 0.002°
• γ: 90°
• Cell volume: 2860.89 ± 0.13 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 2
• 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: 0.0723
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No