Information card for entry 7105085

Structure parameters

• Formula: C17 H21 Fe N O
• Calculated formula: C17 H21 Fe N O
• SMILES: [Fe]123456789[c]%10([cH]1[cH]2[cH]3[cH]4%10)[C@@H](C)C[C@H](N(C)C)[c]15[cH]6[cH]7[cH]8[c]91C=O
• Title of publication: 1,2-Olefin addition of a frustrated amine‒borane Lewis pair
• Authors of publication: Jean-Baptiste Sortais; Tanja Voss; Gerald Kehr; Roland Fröhlich; Gerhard Erker
• Journal of publication: Chem. Commun.
• Year of publication: 2009
• Pages of publication: 7417 - 7418
• a: 7.3447 ± 0.0002 Å
• b: 14.1452 ± 0.0003 Å
• c: 14.2521 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1480.68 ± 0.07 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0388
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No