Information card for entry 4037898

Structure parameters

• Formula: C63 H74 Cl2 O12
• Calculated formula: C63 H74 Cl2 O12
• 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: 19.0731 ± 0.0005 Å
• b: 42.4808 ± 0.0013 Å
• c: 7.1555 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5797.7 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No