Information card for entry 4037902

Structure parameters

• Formula: C33 H34 Cl3 I3 O3
• Calculated formula: C33 H33.9997 Cl3 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: 11.2774 ± 0.0005 Å
• b: 11.2774 ± 0.0005 Å
• c: 24.1597 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2661 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No