Information card for entry 4077186

Structure parameters

• Chemical name: 1,2,3,4,7,8,9,10-Octahydro-1,1,4,4,7,7,10,10-octamethylnaphthacene
• Formula: C26 H36
• Calculated formula: C26 H36
• SMILES: c12c(cc3c(c2)C(CCC3(C)C)(C)C)cc2c(c1)C(CCC2(C)C)(C)C
• Title of publication: Electron Redistribution of Aromatic Ligands in (Arene)Cr(CO)3Complexes. Structural (Bond-Length) Changes as Quantitative Measures
• Authors of publication: Le Maguères, P.; Lindeman, S. V.; Kochi, J. K.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 1
• Pages of publication: 115
• a: 5.8991 ± 0.0001 Å
• b: 22.0559 ± 0.0005 Å
• c: 8.3897 ± 0.0002 Å
• α: 90°
• β: 108.88 ± 0.001°
• γ: 90°
• Cell volume: 1032.85 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 2
• 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: 0.0597
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections: 0.1347
• Weighted residual factors for significantly intense reflections: 0.1232
• Goodness-of-fit parameter for all reflections: 1.079
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No