Information card for entry 4028952

Structure parameters

• Formula: C14 H25 N O6
• Calculated formula: C14 H25 N O6
• SMILES: C1[C@@H]([C@@H]2[C@@H]([C@H](CO)N1C(=O)OC(C)(C)C)OC(C)(C)O2)O
• Title of publication: Regioselective Reductive Cleavage of Bis-benzylidene Acetal: Stereoselective Synthesis of Anticancer Agent OGT2378 and Glycosidase Inhibitor 1,4-Dideoxy-1,4-imino-l-xylitol
• Authors of publication: Aravind, Appu; Sankar, Muthukumar Gomathi; Varghese, Babu; Baskaran, Sundarababu
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Journal issue: 7
• Pages of publication: 2858 - 2861
• a: 5.9404 ± 0.0004 Å
• b: 12.3076 ± 0.0008 Å
• c: 21.338 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1560.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0278
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No