Information card for entry 7159774

Structure parameters

• Formula: C48.5 H44 O2.25
• Calculated formula: C48.5 H44 O2.25
• Title of publication: Controlling helicene's pitch by molecular tethering
• Authors of publication: Agrawal, Abhijeet R.; Shiouki, Israa; Deree, Yinon; Bogoslavsky, Benny; Gidron, Ori
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 7
• Pages of publication: 1365 - 1368
• a: 17.9449 ± 0.0007 Å
• b: 9.9148 ± 0.0004 Å
• c: 22.899 ± 0.0009 Å
• α: 90°
• β: 103.799 ± 0.004°
• γ: 90°
• Cell volume: 3956.6 ± 0.3 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1273
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2177
• Weighted residual factors for all reflections included in the refinement: 0.2474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No