Information card for entry 1555105

Structure parameters

• Chemical name: (3a<i>R</i>,3b<i>R</i>,6a<i>S</i>,7a<i>R</i>)-hexahydrodifuro[2,3-<i>b</i>:3',2'-<i>d</i>]furan-2(3<i>H</i>)-one
• Formula: C8 H10 O4
• Calculated formula: C8 H10 O4
• SMILES: O1[C@H]2O[C@@H]3OC(=O)C[C@@H]3[C@H]2CC1.O1[C@@H]2O[C@H]3OC(=O)C[C@H]3[C@@H]2CC1
• Title of publication: Regenerative γ-Lactone Annulations: A Modular, Iterative Approach to Oligo-tetrahydrofuran Molecular Stairs and Related Frameworks.
• Authors of publication: Rashid, Showkat; Bhat, Bilal A.; Mehta, Goverdhan
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 14
• Pages of publication: 3604 - 3607
• a: 10.571 ± 0.006 Å
• b: 5.838 ± 0.003 Å
• c: 12.338 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 761.4 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1408
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No