Information card for entry 1503929

Structure parameters

• Common name: all-anti-Heptatetrahydrofuran
• Chemical name: all-anti-2,3,4-5-Hexakis(tetrahydrofuro)furan
• Formula: C16 H16 O7
• Calculated formula: C16 H16 O7
• SMILES: C1=C[C@@H]2[C@H](O1)O[C@@H]1[C@H]2[C@@H]2[C@H](O1)O[C@@H]1[C@H]2[C@H]2[C@@H]3C=CO[C@@H]3O[C@H]2O1.C1=C[C@H]2[C@@H](O1)O[C@H]1[C@@H]2[C@H]2[C@@H](O1)O[C@H]1[C@@H]2[C@@H]2[C@H]3C=CO[C@H]3O[C@@H]2O1
• Title of publication: anti-Oligoannelated THF moieties: synthesis via push-pull-substituted cyclopropanes.
• Authors of publication: Schneider, Tobias F.; Kaschel, Johannes; Dittrich, Birger; Werz, Daniel B.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 11
• Pages of publication: 2317 - 2320
• a: 42.329 ± 0.008 Å
• b: 5.8139 ± 0.0013 Å
• c: 11.242 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2766.6 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No