Information card for entry 1560216

Structure parameters

• Formula: C30 H16 S2
• Calculated formula: C30 H16 S2
• SMILES: c1cccc2c1ccc1c2c2c(ccc3c2c2c(cc3)sc3c2c2c(cc3)cccc2)s1
• 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: 9.338 ± 0.003 Å
• b: 13.622 ± 0.003 Å
• c: 16.299 ± 0.004 Å
• α: 90°
• β: 102.204 ± 0.007°
• γ: 90°
• Cell volume: 2026.4 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• 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: 0.0318
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No