Information card for entry 1560217

Structure parameters

• Formula: C28.5 H16.5 Cl1.5 O
• Calculated formula: C28.5 H16.5 Cl1.5 O
• Title of publication: Asymmetric systematic synthesis, structures, and (chir)optical properties of a series of dihetero[8]helicenes
• Authors of publication: Yanagi, Tomoyuki; Tanaka, Takayuki; Yorimitsu, Hideki
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 2784 - 2793
• a: 9.0201 ± 0.0009 Å
• b: 9.0201 ± 0.0009 Å
• c: 49.382 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4017.8 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 91
• Hermann-Mauguin space group symbol: P 41 2 2
• Hall space group symbol: P 4w 2c
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.2422
• Weighted residual factors for all reflections included in the refinement: 0.2449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No