Information card for entry 1555475

Structure parameters

• Formula: C13 H18 N3 O4
• Calculated formula: C13 H18 N3 O4
• SMILES: O1[C@@H]2c3n(nnc3)[C@H]([C@H](OCOC)[C@H]2OC1(C)C)C=C
• Title of publication: Allylic Azide Rearrangement in Tandem with Huisgen Cycloaddition for Stereoselective Annulation: Synthesis of C-Glycosyl Iminosugars.
• Authors of publication: Moynihan, Lorna; Chadda, Rekha; McArdle, Patrick; Murphy, Paul V.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 6226 - 6229
• a: 6.1187 ± 0.0002 Å
• b: 15.5628 ± 0.0007 Å
• c: 7.4298 ± 0.0003 Å
• α: 90°
• β: 90.617 ± 0.004°
• γ: 90°
• Cell volume: 707.46 ± 0.05 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0365
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No