Information card for entry 1506735

Structure parameters

• Common name: MPPIM-B
• Chemical name: MPPIM-B
• Formula: C10 H12 O4
• Calculated formula: C10 H12 O4
• SMILES: O=C1O[C@@H]2[C@H](C1)[C@@H]1[C@H](CC2)OC(=O)C1
• Title of publication: Amplification of asymmetric induction in sequential reactions of bis-diazoacetates catalyzed by chiral dirhodium(II) carboxamidates.
• Authors of publication: Doyle, Michael P.; Wang, Yuanhua; Ghorbani, Pejman; Bappert, Erhard
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 22
• Pages of publication: 5035 - 5038
• a: 7.0222 ± 0.0004 Å
• b: 12.2044 ± 0.0006 Å
• c: 10.4549 ± 0.0006 Å
• α: 90°
• β: 95.631 ± 0.001°
• γ: 90°
• Cell volume: 891.68 ± 0.08 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0594
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No