Information card for entry 7204358

Structure parameters

• Chemical name: (3S,4R,5S)-1-N-Acetyl-4,5-isopropylidene-3-methyl-hexahydropyridazine
• Formula: C10 H18 N2 O3
• Calculated formula: C10 H18 N2 O3
• Title of publication: Synthesis and investigation of L-fuco- and D-glucurono-azafagomine
• Authors of publication: Jensen, Henrik H.; Jensen, Astrid; Hazell, Rita G.; Bols, Mikael
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2002
• Journal issue: 9
• Pages of publication: 1190
• a: 6.436 ± 0.001 Å
• b: 10.547 ± 0.002 Å
• c: 8.763 ± 0.002 Å
• α: 90°
• β: 105.899 ± 0.003°
• γ: 90°
• Cell volume: 572.08 ± 0.19 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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 significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.37
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No