Information card for entry 2015467

Structure parameters

• Chemical name: Methyl 4-O-benzoyl-2,3-O-isopropylidene-α-L-rhamnopyranoside
• Formula: C17 H22 O6
• Calculated formula: C17 H22 O6
• SMILES: [C@@H]1([C@H]2[C@@H]([C@H]([C@H](C)O1)OC(=O)c1ccccc1)OC(C)(C)O2)OC
• Title of publication: Methyl 4-<i>O</i>-benzoyl-2,3-<i>O</i>-isopropylidene-α-<small>L</small>-rhamnopyranoside
• Authors of publication: Jonsson, K. Hanna M.; Eriksson, Lars; Widmalm, Göran
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o447 - o449
• a: 9.72 ± 0.008 Å
• b: 10.654 ± 0.011 Å
• c: 16.127 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1670 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0354
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.35 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes