Information card for entry 4031833

Structure parameters

• Formula: C34 H28 O9
• Calculated formula: C34 H28 O9
• SMILES: C(=O)(c1ccccc1)OCC(=O)C[C@H]([C@H](COC(=O)c1ccccc1)OC(=O)c1ccccc1)OC(=O)c1ccccc1
• Title of publication: Synthesis of 3-Deoxy-l-ketohexoses through Group Transfer.
• Authors of publication: Lu, Tai-Ni; Chang, Che-Chien
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 2
• Pages of publication: 469 - 475
• a: 5.4629 ± 0.0005 Å
• b: 48.1 ± 0.004 Å
• c: 10.9336 ± 0.001 Å
• α: 90°
• β: 97.337 ± 0.002°
• γ: 90°
• Cell volume: 2849.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0448
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No