Information card for entry 1560215

Structure parameters

• Formula: C57 H34 Cl2
• Calculated formula: C57 H34 Cl2
• 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: 8.57192 ± 0.00004 Å
• b: 20.53361 ± 0.0001 Å
• c: 22.43166 ± 0.00011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3948.25 ± 0.03 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No