Information card for entry 4123849

Structure parameters

• Formula: C20 H30 Cl2 N2 O8 Rh2
• Calculated formula: C20 H30 Cl2 N2 O8 Rh2
• SMILES: C(#[O])[Rh]123(C(=O)C[C@H]([C@@H]1N(C(=[O]2)OCC)C)C)[Cl][Rh]12(C#[O])(C(=O)C[C@@H]([C@H]1N(C(=[O]2)OCC)C)C)[Cl]3
• Title of publication: Modular Access to Substituted Azocanes via a Rhodium-Catalyzed Cycloaddition-Fragmentation Strategy.
• Authors of publication: Shaw, Megan H.; Croft, Rosemary A.; Whittingham, William G.; Bower, John F.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 25
• Pages of publication: 8054 - 8057
• a: 7.2575 ± 0.0017 Å
• b: 19.844 ± 0.005 Å
• c: 9.142 ± 0.002 Å
• α: 90°
• β: 99.336 ± 0.005°
• γ: 90°
• Cell volume: 1299.2 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No