Information card for entry 4086701

Structure parameters

• Formula: C92 H104 O19 Rb4
• Calculated formula: C92 H104 O19 Rb4
• 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: 11.1538 ± 0.0004 Å
• b: 18.6855 ± 0.0007 Å
• c: 20.8179 ± 0.0007 Å
• α: 89.264 ± 0.002°
• β: 88.812 ± 0.002°
• γ: 86.356 ± 0.002°
• Cell volume: 4328.8 ± 0.3 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: 0.0839
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No