Information card for entry 4110749

Structure parameters

• Formula: C20 H26 N O2 Rh
• Calculated formula: C20 H26 N O2 Rh
• SMILES: [Rh]1234([N]5(CCC[C@H]5C(=O)O1)Cc1ccccc1)[CH]1=[CH]2CC[CH]3=[CH]4CC1
• Title of publication: Rhodium-Mediated Stereoselective Polymerization of "Carbenes"
• Authors of publication: Dennis G. H. Hetterscheid; Coen Hendriksen; Wojciech I. Dzik; Jan M. M. Smits; Ernst R. H. van Eck; Alan E. Rowan; Vincenzo Busico; Michele Vacatello; Valeria Van Axel Castelli; Annalaura Segre; Erica Jellema; Tom G. Bloemberg; Bas de Bruin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9746 - 9752
• a: 9.1192 ± 0.0007 Å
• b: 10.8625 ± 0.0004 Å
• c: 17.6706 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1750.4 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0178
• Residual factor for significantly intense reflections: 0.0156
• Weighted residual factors for all reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0351
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No