Information card for entry 4132505

Structure parameters

• Formula: C49 H35 F12 O2
• Calculated formula: C49 H35 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: 16.2853 ± 0.0008 Å
• b: 15.2445 ± 0.0007 Å
• c: 17.0808 ± 0.0009 Å
• α: 90°
• β: 107.963 ± 0.001°
• γ: 90°
• Cell volume: 4033.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1174
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.2055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No