Information card for entry 4037900

Structure parameters

• Formula: C35 H33 F9 O9 S3
• Calculated formula: C35 H33 F9 O9 S3
• Title of publication: Solvent Controlled Racemic Resolution of C3-Symmetric Trihydroxytribenzotriquinacenes.
• Authors of publication: Wagner, Philippe; Rominger, Frank; Oeser, Thomas; Mastalerz, Michael
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 16.4649 ± 0.0009 Å
• b: 16.4724 ± 0.0009 Å
• c: 16.8345 ± 0.0009 Å
• α: 85.833 ± 0.004°
• β: 65.957 ± 0.004°
• γ: 65.08 ± 0.004°
• Cell volume: 3754.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1671
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1635
• Weighted residual factors for all reflections included in the refinement: 0.2061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No