Information card for entry 8102381

Structure parameters

• Chemical name: methyl 3,4,6-tri-O-benzyl-2-deoxy- 2-C-nitromethyl-β-D-galactopyranoside
• Formula: C29 H33 N O7
• Calculated formula: C29 H33 N O7
• SMILES: [C@@H]1([C@@H]([C@H]([C@H]([C@@H](COCc2ccccc2)O1)OCc1ccccc1)OCc1ccccc1)CN(=O)=O)OC
• Title of publication: Crystal structure of methyl 3,4,6-tri-O-benzyl-2-deoxy-2-C-nitromethyl-β-D-galactopyranoside, C29H33NO7
• Authors of publication: Elangovan Elamparuthi; Torsten Linker; Alexandra Kelling; Uwe Schilde
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 1
• Pages of publication: 67
• a: 24.7379 ± 0.0014 Å
• b: 10.512 ± 0.0008 Å
• c: 10.3749 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2697.9 ± 0.3 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No