Information card for entry 7152095

Structure parameters

• Formula: C16 H20 O9
• Calculated formula: C16 H20 O9
• Title of publication: Synthesis of 1,2,3-triazole linked galactopyranosides and evaluation of cholera toxin inhibition.
• Authors of publication: Leaver, David J.; Dawson, Raymond M.; White, Jonathan M.; Polyzos, Anastasios; Hughes, Andrew B.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 24
• Pages of publication: 8465 - 8474
• a: 7.1296 ± 0.0002 Å
• b: 9.0495 ± 0.0004 Å
• c: 27.5442 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1777.13 ± 0.11 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 3
• 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: 0.0365
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No