Information card for entry 4028709

Structure parameters

• Formula: C10 H16 O5
• Calculated formula: C10 H16 O5
• SMILES: O[C@H]1O[C@H]2[C@H](O[C@@H]3OC(O[C@H]23)(C)C)CC1
• Title of publication: Total Synthesis of Herbicidin C and Aureonuclemycin: Impasses and New Avenues
• Authors of publication: Dominik Hager; Christian Paulitz; Jörg Tiebes; Peter Mayer; Dirk Trauner
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 10784 - 10801
• a: 6.0447 ± 0.0003 Å
• b: 6.9522 ± 0.0004 Å
• c: 7.2801 ± 0.0005 Å
• α: 72.905 ± 0.004°
• β: 71.641 ± 0.003°
• γ: 69.728 ± 0.004°
• Cell volume: 266.45 ± 0.03 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0411
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No