Information card for entry 4037899

Structure parameters

• Formula: C33 H33 Cl3 D I3 O3
• Calculated formula: C33 H32.9997 Cl3 D I3 O3
• 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: 11.2613 ± 0.0002 Å
• b: 11.2613 ± 0.0002 Å
• c: 24.166 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2654.07 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No