Information card for entry 7213318

Structure parameters

• Formula: C19.5 H18 Cl Fe N O9
• Calculated formula: C19.5 H18 Cl Fe N O9
• Title of publication: 1,7-Asymmetric induction of chirality in a Mukaiyama aldol reaction using π-allyltricarbonyliron lactone complexes: highly diastereoselective synthesis of α-substituted β-hydroxy carbonyl compounds
• Authors of publication: Ley, Steven V.; Wright, Edward A.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2000
• Journal issue: 11
• Pages of publication: 1677
• a: 11.432 ± 0.008 Å
• b: 24.74 ± 0.012 Å
• c: 7.678 ± 0.004 Å
• α: 90°
• β: 92.45 ± 0.05°
• γ: 90°
• Cell volume: 2170 ± 2 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections: 0.1356
• Weighted residual factors for significantly intense reflections: 0.1235
• Goodness-of-fit parameter for all reflections: 0.982
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No