Information card for entry 1506606

Structure parameters

• Formula: C14 H16 O6
• Calculated formula: C14 H16 O6
• SMILES: C1(=O)[C@]([C@@H]2[C@H]([C@@H]([C@@H]([C@@H](C)O2)O)O)O1)(c1ccccc1)O
• Title of publication: Synthesis of the branched C-glycoside substructure of altromycin B.
• Authors of publication: Koo, Bonsuk; McDonald, Frank E.
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 17
• Pages of publication: 3621 - 3624
• a: 7.566 ± 0.0014 Å
• b: 12.748 ± 0.002 Å
• c: 13.632 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1314.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0366
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No