Information card for entry 1560214

Structure parameters

• Formula: C15 H8 O2 S
• Calculated formula: C15 H8 O2 S
• 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: 17.7976 ± 0.0002 Å
• b: 10.4721 ± 0.0001 Å
• c: 11.7388 ± 0.0001 Å
• α: 90°
• β: 99.158 ± 0.001°
• γ: 90°
• Cell volume: 2159.97 ± 0.04 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.0975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No