Information card for entry 2210558

Structure parameters

• Chemical name: Phenyl 3,4-O-isopropylidene-6-O-pivalyl-β-D-galactopyranoside
• Formula: C20 H28 O7
• Calculated formula: C20 H28 O7
• SMILES: O[C@H]1[C@@H](O[C@@H]([C@H]2[C@@H]1OC(O2)(C)C)COC(=O)C(C)(C)C)Oc1ccccc1
• Title of publication: Phenyl 3,4-<i>O</i>-isopropylidene-6-<i>O</i>-pivalyl-β-<small>D</small>-galactopyranoside
• Authors of publication: Jiong Jia; Yan Zhang; Xi-Zhao Wang; Teng-Fei Shao; Jian-wu Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4304 - o4305
• a: 5.8611 ± 0.0011 Å
• b: 18.529 ± 0.003 Å
• c: 19.756 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2145.5 ± 0.7 ų
• Cell temperature: 298 ± 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: 0.0858
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes