Information card for entry 1556113

Structure parameters

• Formula: C7 H8 O5
• Calculated formula: C7 H8 O5
• SMILES: O1C(=O)C[C@H]2[C@@H]1O[C@H](C2)C(=O)O
• Title of publication: Enantioselective synthesis of furo[2,3-b]furans, a spongiane diterpenoid substructure.
• Authors of publication: Weisser, Roland; Yue, Weimin; Reiser, Oliver
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 24
• Pages of publication: 5353 - 5356
• a: 5.31 ± 0.0006 Å
• b: 10.8386 ± 0.001 Å
• c: 12.8074 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 737.1 ± 0.13 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.0458
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No