Information card for entry 4132504

Structure parameters

• Formula: C47 H30 F12 O2
• Calculated formula: C47 H30 F12 O2
• Title of publication: Helically Locked Tethered Twistacenes.
• Authors of publication: Bedi, Anjan; Shimon, Linda J. W.; Gidron, Ori
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 26
• Pages of publication: 8086 - 8090
• a: 15.2965 ± 0.0002 Å
• b: 15.9067 ± 0.0003 Å
• c: 16.5026 ± 0.0003 Å
• α: 73.197 ± 0.001°
• β: 88.851 ± 0.001°
• γ: 78.149 ± 0.001°
• Cell volume: 3758.68 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No