Information card for entry 4132503

Structure parameters

• Formula: C45 H26 F12 O2
• Calculated formula: C45 H26 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: 8.9854 ± 0.0011 Å
• b: 13.222 ± 0.0016 Å
• c: 16.513 ± 0.002 Å
• α: 68.563 ± 0.002°
• β: 79.735 ± 0.002°
• γ: 87.455 ± 0.002°
• Cell volume: 1796.4 ± 0.4 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.0555
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No