Information card for entry 4077183

Structure parameters

• Common name: DMA
• Chemical name: 1,2,3,4,5,6,7,8-Octahydro-1,4:5,8-dimethanoanthracene
• Formula: C16 H18
• Calculated formula: C16 H18
• SMILES: c1c2c(cc3c1[C@H]1CC[C@@H]3C1)[C@@H]1CC[C@H]2C1
• 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: 10.5037 ± 0.0006 Å
• b: 5.5865 ± 0.0003 Å
• c: 19.4 ± 0.001 Å
• α: 90°
• β: 92.563 ± 0.001°
• γ: 90°
• Cell volume: 1137.23 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 2
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1439
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections: 0.3029
• Weighted residual factors for significantly intense reflections: 0.2285
• Goodness-of-fit parameter for all reflections: 1.148
• Goodness-of-fit parameter for significantly intense reflections: 1.271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No