Information card for entry 4109668

Structure parameters

• Formula: C56 H84 Cr2 Li4 O8
• Calculated formula: C56 H84 Cr2 Li4 O8
• Title of publication: Ansa [1]Trochrocenophanes and Their Related Unstrained 1,1'-Disubstituted Counterparts: Synthesis and Electronic Structure
• Authors of publication: Holger Braunschweig; Thomas Kupfer; Matthias Lutz; Krzysztof Radacki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 8893 - 8906
• a: 10.2885 ± 0.0003 Å
• b: 28.3264 ± 0.0009 Å
• c: 18.4643 ± 0.0006 Å
• α: 90°
• β: 94.224 ± 0.002°
• γ: 90°
• Cell volume: 5366.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0765
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.2253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No