Information card for entry 4079888

Structure parameters

• Chemical name: corannulene-(15-crown-5-ether)-lithium)
• Formula: C30 H30 Li O5
• Calculated formula: C30 H30 Li O5
• Title of publication: “Naked” Mono- and Dianions of Corannulene with Lithium Counterions
• Authors of publication: Spisak, Sarah N.; Zabula, Alexander V.; Ferguson, Michael V.; Filatov, Alexander S.; Petrukhina, Marina A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 538
• a: 9.9538 ± 0.0008 Å
• b: 16.5575 ± 0.0013 Å
• c: 14.5784 ± 0.0011 Å
• α: 90°
• β: 90.976 ± 0.001°
• γ: 90°
• Cell volume: 2402.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No