Information card for entry 4114681

Structure parameters

• Formula: C24 H32 O14
• Calculated formula: C24 H32 O14
• SMILES: COC(=O)[C@@]12O[C@@](C(=O)OC)(C1(OC)OC)[C@@H]1C[C@@H]3[C@@]4(O[C@@](C(=O)OC)(C4(OC)OC)[C@@H]3C[C@H]21)C(=O)OC
• Title of publication: Synthesis of a Novel, Highly Symmetric Bis-Oxa-Bridged Compound
• Authors of publication: Faiz Ahmed Khan; Jyotirmayee Dash
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 2424 - 2425
• a: 14.043 ± 0.005 Å
• b: 13.819 ± 0.005 Å
• c: 14.067 ± 0.005 Å
• α: 90 ± 0.005°
• β: 109.169 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2578.5 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2385
• Residual factor for significantly intense reflections: 0.0674
• Weighted residual factors for significantly intense reflections: 0.1463
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 0.739
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No