Information card for entry 4077184

Structure parameters

• Chemical name: 1,4:5,8:9,12-Triethyleno-1,2,3,4,5,6,7,8,9,10,11,12- dodecahydrotriphenylene
• Formula: C24 H30
• Calculated formula: C24 H30
• SMILES: c12c(c3c(c4c1C1CCC4CC1)C1CCC3CC1)C1CCC2CC1
• 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: 15.5421 ± 0.0004 Å
• b: 10.2264 ± 0.0003 Å
• c: 11.4845 ± 0.0003 Å
• α: 90°
• β: 100.692 ± 0.001°
• γ: 90°
• Cell volume: 1793.65 ± 0.08 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections: 0.1447
• Weighted residual factors for significantly intense reflections: 0.1202
• Goodness-of-fit parameter for all reflections: 1.093
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No