Information card for entry 2005944

Structure parameters

• Chemical name: (6S)-8-C-Chloro-6,7,8-trideoxy-1,1:3,4-di-O-isopropylidene-α-D-galacto- oct-6,7-dienopyranose
• Formula: C14 H19 Cl O5
• Calculated formula: C14 H19 Cl O5
• SMILES: ClC=C=C[C@H]1O[C@@H]2OC(O[C@@H]2[C@@H]2[C@H]1OC(O2)(C)C)(C)C
• Title of publication: (6<i>S</i>)-8-<i>C</i>-Chloro-6,7,8-trideoxy-1,2:3,4-di-<i>O</i>-isopropylidene-α-<small>D</small>-<i>galacto</i>-octa-6,7-dienopyranose
• Authors of publication: Horton, D.; Liu, Q.; Luck, R. L.; Silverton, J. V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 236 - 238
• a: 7.72 ± 0.001 Å
• b: 9.764 ± 0.001 Å
• c: 10.643 ± 0.002 Å
• α: 90°
• β: 106.79 ± 0.01°
• γ: 90°
• Cell volume: 768 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.045
• Weighted residual factors for significantly intense reflections: 0.053
• Goodness-of-fit parameter for significantly intense reflections: 1.9
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: copperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No