Information card for entry 7153968

Structure parameters

• Formula: C23 H32 O9
• Calculated formula: C23 H32 O9
• SMILES: [C@@H]12O[C@@H]3CC(=O)O[C@]3(OC)C[C@H]1O[C@H]([C@@H](C2)OCOC)CCOCc1ccc(cc1)OC
• Title of publication: Synthesis of a chiral building block for highly functionalized polycyclic ethers.
• Authors of publication: Pazos, G.; Pérez, M; Gándara, Z; Gómez, G; Fall, Y.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 39
• Pages of publication: 7750 - 7757
• a: 11.4323 ± 0.0013 Å
• b: 9.4544 ± 0.001 Å
• c: 11.5317 ± 0.0013 Å
• α: 90°
• β: 107.545 ± 0.002°
• γ: 90°
• Cell volume: 1188.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1185
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.2557
• Weighted residual factors for all reflections included in the refinement: 0.2876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No