Information card for entry 1505378

Structure parameters

• Formula: C30 H20 O S
• Calculated formula: C30 H20 O S
• SMILES: S(=O)(c1c2ccccc2c(c2cc3ccccc3cc12)c1ccccc1)c1ccccc1
• Title of publication: Synthesis of tetracene sulfoxide and tetracene sulfone via a cascade cyclization reaction.
• Authors of publication: Lin, Yi-Chun; Lin, Chih-Hsiu
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 11
• Pages of publication: 2075 - 2078
• a: 8.849 ± 0.003 Å
• b: 11.325 ± 0.003 Å
• c: 11.675 ± 0.003 Å
• α: 75.847 ± 0.019°
• β: 102.21 ± 0.02°
• γ: 90.56 ± 0.02°
• Cell volume: 1107.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No