Information card for entry 7111863

Structure parameters

• Formula: C18 H22 N2 O3
• Calculated formula: C18 H22 N2 O3
• SMILES: c1cccc2c3CCN4C[C@H]([C@@H]5[C@H]([C@@H]4c3[nH]c12)OC(C)(C)O5)O
• 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: 6.1766 ± 0.0004 Å
• b: 9.188 ± 0.0005 Å
• c: 14.0208 ± 0.0006 Å
• α: 90°
• β: 91.209 ± 0.002°
• γ: 90°
• Cell volume: 795.51 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No