Information card for entry 7111862

Structure parameters

• Formula: C25 H27 N O4
• Calculated formula: C25 H27 N O4
• SMILES: [C@@H]1([C@H]2[C@@H]([C@@H](CN1Cc1ccccc1)O)OC(C)(C)O2)c1c2ccccc2ccc1O
• Title of publication: A diversity oriented one-pot synthesis of novel iminosugar C-glycosides
• Authors of publication: Soundararasu Senthilkumar; Sure Siva Prasad; Ponminor Senthil Kumar; Sundarababu Baskaran
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1549
• a: 27.119 ± 0.004 Å
• b: 10.6814 ± 0.0016 Å
• c: 21.58 ± 0.004 Å
• α: 90°
• β: 131.85 ± 0.003°
• γ: 90°
• Cell volume: 4656.4 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No