Information card for entry 7114526

Structure parameters

• Formula: C28 H18 O2 S2
• Calculated formula: C28 H18 O2 S2
• Title of publication: Synthesis, crystal structure and properties of thiaheterohelicenes containing phenolic hydroxy functions
• Authors of publication: Kitahara, Yoshinori; Tanaka, Kazuhiko
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 932
• a: 11.719 ± 0.006 Å
• b: 17.73 ± 0.004 Å
• c: 9.974 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2072.4 ± 1.4 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.077
• Goodness-of-fit parameter for significantly intense reflections: 1.229
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No