Information card for entry 7115274

Structure parameters

• Formula: C14 H14 Fe I N O4
• Calculated formula: C14 H14 Fe I N O4
• SMILES: I[c]12[Fe]3456789([c]1([cH]3[cH]4[cH]25)C(CC(=O)O)CN(=O)=O)[cH]1[cH]9[cH]8[cH]7[cH]61
• Title of publication: Peptide-catalyzed kinetic resolution of planar-chiral metallocenes
• Authors of publication: Midori Akiyama; Kengo Akagawa; Hidetake Seino; Kazuaki Kudo
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 7893
• a: 6.997 ± 0.003 Å
• b: 7.231 ± 0.003 Å
• c: 15.311 ± 0.006 Å
• α: 93.523 ± 0.005°
• β: 97.073 ± 0.004°
• γ: 101.321 ± 0.006°
• Cell volume: 750.9 ± 0.5 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No