Information card for entry 1507617

Structure parameters

• Chemical name: (1R,2S,4S,5R,6S)-2-acetoxy-4-methylbicyclo[3.2.0]heptane-4,6-diol
• Formula: C10 H16 O4
• Calculated formula: C10 H16 O4
• SMILES: O[C@@H]1[C@H]2[C@H]([C@@H](OC(=O)C)C[C@@]2(O)C)C1
• Title of publication: A Non-Photochemical Approach to the Bicyclo[3.2.0]heptane Core of Bielschowskysin.
• Authors of publication: Farcet, Jean-Baptiste; Himmelbauer, Martin; Mulzer, Johann
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 2195 - 2197
• a: 5.7129 ± 0.0005 Å
• b: 14.9506 ± 0.0011 Å
• c: 6.4594 ± 0.0005 Å
• α: 90°
• β: 112.684 ± 0.003°
• γ: 90°
• Cell volume: 509.03 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0529
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No