Information card for entry 1574542

Structure parameters

• Formula: C145 H168 O7
• Calculated formula: C135 H137 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: 15.0587 ± 0.0004 Å
• b: 16.355 ± 0.0003 Å
• c: 25.5956 ± 0.0004 Å
• α: 85.232 ± 0.002°
• β: 78.91 ± 0.002°
• γ: 88.617 ± 0.002°
• Cell volume: 6164.5 ± 0.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1189
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2639
• Weighted residual factors for all reflections included in the refinement: 0.2841
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No