Information card for entry 7150110

Structure parameters

• Formula: C52 H40
• Calculated formula: C52 H40
• SMILES: c12c(c3c(c(c1c1c(ccc4ccc(c2c14)C)C)C)c1c(c2c(c4c(c(c2c2c3cccc2)C)c2c(ccc3ccc(c4c23)C)C)C)cccc1)C
• Title of publication: Synthesis and properties of 1,6,7,12,13,18,19,24-octamethylacenaphthyleno[b,l]tetraphenylene.
• Authors of publication: Elliott, Eric L.; Orita, Akihiro; Hasegawa, Daiki; Gantzel, Peter; Otera, Junzo; Siegel, Jay S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 581 - 583
• a: 17.705 ± 0.002 Å
• b: 21.289 ± 0.002 Å
• c: 19.354 ± 0.002 Å
• α: 90°
• β: 96.336 ± 0.003°
• γ: 90°
• Cell volume: 7250.4 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0997
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 0.875
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No