Information card for entry 2214305

Structure parameters

• Common name: (R)-pantolactone-O,O'-diacetyl-(R,R)-hydrogentartrate monohydrate O,O'-diacetyl-(R,R)-hydrogentartrate-(R)-3,3-dimethylbutyrolakton-2-yl monohydrate O,O'-diacetyl-(R,R)-hydrogentartrate ester of (R)-pantolactone monohydrate
• Chemical name: (1R,2R)-1-carboxy-2-[(3R)-4,4-dimethyl-2-oxotetrahydrofuran-3- yloxycarbonyl]ethane-1,2-diyl diacetate monohydrate
• Formula: C14 H20 O11
• Calculated formula: C14 H20 O11
• Title of publication: The <i>O</i>,<i>O</i>'-diacetyl (<i>R</i>,<i>R</i>)-hydrogentartrate ester of (<i>R</i>)-pantolactone monohydrate
• Authors of publication: Zachara, Janusz; Madura, Izabela D.; Bernaś, Urszula; Synoradzki, Ludwik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3210 - o3210
• a: 8.2882 ± 0.0015 Å
• b: 12.905 ± 0.003 Å
• c: 16.544 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1769.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0361
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes