Information card for entry 4108323

Structure parameters

• Common name: jonll04
• Formula: C18 H23 Cl N Rh
• Calculated formula: C18 H23 Cl N Rh
• SMILES: [Rh]12345(c6ccccc6C=[N]1C)(Cl)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C
• Title of publication: An Efficient Low-Temperature Route to Polycyclic Isoquinoline Salt Synthesis via C-H Activation with [Cp*MCl2]2 (M = Rh, Ir)
• Authors of publication: Ling Li; William W. Brennessel; William D. Jones
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 12414 - 12419
• a: 14.163 ± 0.004 Å
• b: 14.134 ± 0.004 Å
• c: 16.658 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3334.6 ± 1.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No