Information card for entry 8102173

Structure parameters

• Chemical name: (2S,3S,4R,5R)-3-(tert-butoxycarbonylamino-1,2-O-isopropylidene-4-O-methoxy- methyl-5-methylhexane-1,2,4,6-tetrol
• Formula: C17 H33 N O7
• Calculated formula: C17 H33 N O7
• Title of publication: Crystal structure of (2S,3S,4R,5R)-3-(tert-butoxycarbonylamino-1,2- O-isopropylidene-4-O-methoxymethyl-5-methylhexane-1,2,4,6-tetrol, C~17~H~33~NO~7~
• Authors of publication: Frey, Wolfgang; Li, Feng; Jäger, Volker
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 353 - 354
• a: 9.5027 ± 0.0013 Å
• b: 10.2463 ± 0.0012 Å
• c: 21.1 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2054.5 ± 0.4 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: 0.1375
• Residual factor for significantly intense reflections: 0.077
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No