Information card for entry 1574543

Structure parameters

• Formula: C136.12 H142.25 Cl2.25 O2
• Calculated formula: C135.938 H141.875 Cl1.875 O2
• Title of publication: Enantiomer-enriched π-extended helicenes with a perylene core from binaphthol: axial-to-helical chirality transfer with a stepwise Scholl reaction mechanism
• Authors of publication: Li, Zhi-Ao; Zhu, Ke-Lin; Yao, Nai-Te; Liang, Jiaqi; Shang, Yi-Ling; Zhang, Ye; Gong, Han-Yuan
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 9978 - 9987
• a: 14.4766 ± 0.0001 Å
• b: 26.96 ± 0.0002 Å
• c: 32.5283 ± 0.0002 Å
• α: 95.858 ± 0.001°
• β: 100.307 ± 0.001°
• γ: 99.533 ± 0.001°
• Cell volume: 12204.1 ± 0.16 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.1111
• Residual factor for significantly intense reflections: 0.1003
• Weighted residual factors for significantly intense reflections: 0.2759
• Weighted residual factors for all reflections included in the refinement: 0.2874
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No