Information card for entry 7159773

Structure parameters

• Formula: C46.67 H40 Cl2 O2
• Calculated formula: C46.6667 H40 Cl2 O2
• 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: 11.2461 ± 0.0003 Å
• b: 11.4386 ± 0.0004 Å
• c: 15.5025 ± 0.0005 Å
• α: 92.762 ± 0.003°
• β: 99.839 ± 0.003°
• γ: 103.088 ± 0.003°
• Cell volume: 1906 ± 0.11 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0897
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No