Information card for entry 7113575

Structure parameters

• Formula: C18 H18 N0 O9
• Calculated formula: C18 H18 O9
• SMILES: O([C@H]1O[C@H]2[C@@H](O[C@@H](OC2)c2ccccc2)[C@@]2(OC(=O)C(=C12)C(=O)OC)O)C
• Title of publication: Stereoselective synthesis of 2,2-bis(C-branched-chain)glucopyranosid-3-ulose via an autoxidation‒Michael addition reaction
• Authors of publication: Liu, Hong-Min; Zhang, Fuyi; Zou, Da-Peng
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 16
• Pages of publication: 2044 - 2045
• a: 6.3659 ± 0.0013 Å
• b: 11.591 ± 0.002 Å
• c: 23.782 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1754.8 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• 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: 0.0993
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7103852
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No