Information card for entry 4026938

Structure parameters

• Formula: C16 H22 O9
• Calculated formula: C16 H22 O9
• SMILES: O(C(=O)C)[C@@H]1[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]2[C@H]([C@H]1OC(=O)C)COC2.O(C(=O)C)[C@H]1[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2[C@@H]([C@@H]1OC(=O)C)COC2
• Title of publication: Synthesis of Bishomoinositols and an Entry for Construction of a Substituted 3-Oxabicyclo[3.3.1]nonane Skeleton
• Authors of publication: Arif Baran; Merve Bekarlar; Gökay Aydin; Mehmet Nebioglu; Ertan Şahin; Metin Balci
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 1244 - 1250
• a: 17.04 ± 0.02 Å
• b: 8.094 ± 0.012 Å
• c: 26.81 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3698 ± 8 ų
• Cell temperature: 293.1 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 significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No