Information card for entry 4027236

Structure parameters

• Formula: C14 H20 O8
• Calculated formula: C14 H20 O8
• SMILES: O1[C@@H]2C[C@@H]([C@](O)([C@@H](OC(=O)C)[C@H]2OC(=O)C)COC(=O)C)C1.O1[C@H]2C[C@H]([C@@](O)([C@H](OC(=O)C)[C@@H]2OC(=O)C)COC(=O)C)C1
• Title of publication: Design, Synthesis, and Biological Activities of Some Branched Carbasugars: Construction of a Substituted 6-Oxabicyclo[3.2.1]nonane Skeleton
• Authors of publication: Arif Baran; Sinem Çambul; Mehmet Nebioglu; Metin Balci
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 5086 - 5097
• a: 11.6744 ± 0.0011 Å
• b: 18.397 ± 0.0011 Å
• c: 7.8711 ± 0.0007 Å
• α: 90°
• β: 114.956 ± 0.004°
• γ: 90°
• Cell volume: 1532.7 ± 0.2 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No