Information card for entry 2219423

Structure parameters

• Common name: (<i>R</i>)-3,4,5-Trideoxy-5,6-didehydro-1,2-<i>O</i>-(2,2,2- trichloroethylidene)-α-D-glucofuranose-6,3-carbolactone
• Chemical name: (<i>R</i>)-2-Trichloromethyl-3a,3b,7a,8a-tetrahydro-5H- pyrano[2',3':4,5]furano[2,3-d][1,3]dioxol-5-one
• Formula: C9 H7 Cl3 O5
• Calculated formula: C9 H7 Cl3 O5
• SMILES: ClC(Cl)(Cl)[C@H]1O[C@H]2O[C@H]3[C@@H]([C@H]2O1)OC(=O)C=C3
• Title of publication: (<i>R</i>)-3,4,5-Trideoxy-5,6-didehydro-1,2-<i>O</i>-(2,2,2-trichloroethylidene)-α-<small>D</small>-glucofuranose-6,3-carbolactone: a new derivative of α-chloralose
• Authors of publication: Aburto-Luna, Violeta; Meza-León, Rosa-Luisa; Bernès, Sylvain
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1784
• a: 9.129 ± 0.004 Å
• b: 11.264 ± 0.004 Å
• c: 23.156 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2381.1 ± 1.5 ų
• Cell temperature: 298 ± 1 K
• Ambient diffraction temperature: 298 ± 1 K
• Cell measurement pressure: 101 ± 2 kPa
• 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: 0.0605
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes