Information card for entry 7150536

Structure parameters

• Formula: C34 H35 Fe N O6
• Calculated formula: C34 H35 Fe N O6
• SMILES: [Fe]12345678([c]9([C@@H]%10OC(=O)[C@](N%10C(=O)C(C)(C)C)([C@@H](OC(=O)OCc%10ccccc%10)c%10ccccc%10)C)[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Stereoselective functionalisation of cis- and trans-2-ferrocenyl-3-pivaloyl-4-alkyl-1,3-oxazolidin-5-ones: asymmetric synthesis of (R)- and (S)-2-alkyl-2-aminopent-4-enoic acids and (2R,3S)-2-amino-2-methyl-3-hydroxy-3-phenylpropanoic acid
• Authors of publication: Alonso, Francisco; Davies, Stephen G.; Elend, Almut S.; Leech, Michael A.; Roberts, Paul M.; Smith, Andrew D.; Thomson, James E.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 3
• Pages of publication: 527 - 536
• a: 11.422 ± 0.000001 Å
• b: 8.778999 ± 0.000001 Å
• c: 15.357 ± 0.000001 Å
• α: 90°
• β: 107.527 ± 0.000003°
• γ: 90°
• Cell volume: 1468.41 ± 0.0002 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections included in the refinement: 0.0372
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1712
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No