Information card for entry 7151037

Structure parameters

• Chemical name: (+)-2,5-dideoxy-2,5-imino-d-glucitol
• Formula: C6 H13 N O4
• Calculated formula: C6 H13 N O4
• SMILES: [C@@H]1([C@@H]([C@H](N[C@H]1CO)CO)O)O
• Title of publication: Synthesis of (+)-DGDP and (−)-7-epialexine
• Authors of publication: Donohoe, Timothy J.; Cheeseman, Matthew D.; O'Riordan, Timothy J. C.; Kershaw, Jessica A.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 21
• Pages of publication: 3896 - 3898
• a: 5.9247 ± 0.0002 Å
• b: 7.2417 ± 0.0003 Å
• c: 17.4475 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 748.58 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0548
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.0978
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No