Information card for entry 7114527

Structure parameters

• Formula: C29 H20 O3 S2
• Calculated formula: C29 H20 O3 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: 11.612 ± 0.003 Å
• b: 10.361 ± 0.001 Å
• c: 19.18 ± 0.002 Å
• α: 90 ± 0.01°
• β: 91.31 ± 0.02°
• γ: 90 ± 0.02°
• Cell volume: 2307 ± 0.7 ų
• Cell temperature: 295.2 K
• Ambient diffraction temperature: 295.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0625
• Goodness-of-fit parameter for significantly intense reflections: 1.272
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No