Information card for entry 4086702

Structure parameters

• Formula: C42 H44 Cs2 O7
• Calculated formula: C42 H44 Cs2 O7
• Title of publication: From Corannulene to Indacenopicene: Effect of Carbon Framework Topology on Aromaticity and Reduction Limits
• Authors of publication: Spisak, Sarah N.; Li, Jingbai; Rogachev, Andrey Yu.; Wei, Zheng; Papaianina, Olena; Amsharov, Konstantin; Rybalchenko, Alexey V.; Goryunkov, Alexey A.; Petrukhina, Marina A.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 18
• Pages of publication: 3105
• a: 11.041 ± 0.0005 Å
• b: 11.602 ± 0.0005 Å
• c: 16.6071 ± 0.0007 Å
• α: 92.756 ± 0.002°
• β: 106.607 ± 0.002°
• γ: 112.989 ± 0.002°
• Cell volume: 1845.68 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No