Information card for entry 1540708

Structure parameters

• Formula: C32 H38 Cs3 O6
• Calculated formula: C32 H38 Cs3 O6
• Title of publication: Supramolecular trap for a transient corannulene trianion
• Authors of publication: Zabula, Alexander V.; Spisak, Sarah N.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A.
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 3
• Pages of publication: 1954
• a: 23.597 ± 0.003 Å
• b: 14.073 ± 0.002 Å
• c: 19.874 ± 0.003 Å
• α: 90°
• β: 93.283 ± 0.002°
• γ: 90°
• Cell volume: 6588.9 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No