Information card for entry 7150067

Structure parameters

• Formula: C19 H33 N O6
• Calculated formula: C19 H33 N O6
• Title of publication: Synthesis of screening substrates for the directed evolution of sialic acid aldolase: towards tailored enzymes for the preparation of influenza A sialidase inhibitor analogues.
• Authors of publication: Woodhall, Thomas; Williams, Gavin; Berry, Alan; Nelson, Adam
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 1795 - 1800
• a: 5.7388 ± 0.0001 Å
• b: 9.4909 ± 0.0001 Å
• c: 38.243 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2082.96 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0715
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No