Information card for entry 1574544

Structure parameters

• Formula: C135.25 H144.75 Cl3 O4.88
• Calculated formula: C136.5 H139 Cl3 O3
• 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: 23.0691 ± 0.0005 Å
• b: 30.9414 ± 0.0006 Å
• c: 33.7278 ± 0.0013 Å
• α: 90°
• β: 95.416 ± 0.003°
• γ: 90°
• Cell volume: 23967.1 ± 1.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• 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: 0.192
• Residual factor for significantly intense reflections: 0.1299
• Weighted residual factors for significantly intense reflections: 0.2646
• Weighted residual factors for all reflections included in the refinement: 0.2968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No