Information card for entry 4110747

Structure parameters

• Formula: C20 H26 Ir N O2
• Calculated formula: C20 H26 Ir N O2
• SMILES: [Ir]1234(OC(=O)[C@H]5[N]1(CCC5)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: 9.0881 ± 0.0005 Å
• b: 10.9092 ± 0.0004 Å
• c: 17.6478 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1749.67 ± 0.13 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: 0.0137
• Residual factor for significantly intense reflections: 0.0124
• Weighted residual factors for all reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0252
• Weighted residual factors for all reflections included in the refinement: 0.0256
• Goodness-of-fit parameter for all reflections: 1.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No