Information card for entry 8102380

Structure parameters

• Chemical name: methyl 3,4-di-O-benzyl-2-deoxy- 2-C-nitromethyl-α-D-arabinosepyranoside
• Formula: C21 H25 N O6
• Calculated formula: C21 H25 N O6
• Title of publication: Crystal structure of methyl 3,4-di-O-benzyl-2-deoxy-2-C-nitromethyl-α-D-arabinopyranoside, C21H25NO6
• 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: 65
• a: 9.4749 ± 0.0011 Å
• b: 7.1064 ± 0.0005 Å
• c: 15.0482 ± 0.0018 Å
• α: 90°
• β: 101.234 ± 0.009°
• γ: 90°
• Cell volume: 993.82 ± 0.18 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No