Information card for entry 4510835

Structure parameters

• Formula: C11 H18 N O2 Rh
• Calculated formula: C11 H18 N O2 Rh
• SMILES: [Rh]1234(OC(=O)[C@H]5[NH]1CCC5)[CH2]=[CH]2CC[CH]3=[CH2]4
• Title of publication: Rh-Mediated Carbene Polymerization: from Multistep Catalyst Activation to Alcohol-Mediated Chain-Transfer
• Authors of publication: Walters, Annemarie J. C.; Jellema, Erica; Finger, Markus; Aarnoutse, Petra; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas
• Journal of publication: ACS Catalysis
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 246
• a: 10.3322 ± 0.0004 Å
• b: 10.5059 ± 0.0005 Å
• c: 10.5715 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1147.53 ± 0.09 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for all reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0454
• Goodness-of-fit parameter for all reflections: 1.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No