Information card for entry 2235470

Structure parameters

• Chemical name: Methyl α-<i>L</i>-rhamnosyl-(1→ 2)[α-<i>L</i>-rhamnosyl- (1→ 3)]-α-<i>L</i>-rhamnoside pentahydrate
• Formula: C19 H44 O18
• Calculated formula: C19 H44 O18
• SMILES: O.O.O.O.O.[C@@H]1([C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)C)OC
• Title of publication: Methyl α-<small>L</small>-rhamnosyl-(1→ 2)[α-<small>L</small>-rhamnosyl-(1→ 3)]-α-<small>L</small>-rhamnoside pentahydrate: synchrotron study
• Authors of publication: Eriksson, Lars; Widmalm, Göran
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2221 - o2222
• a: 19.345 ± 0.003 Å
• b: 6.487 ± 0.0013 Å
• c: 21.145 ± 0.003 Å
• α: 90°
• β: 97.617 ± 0.014°
• γ: 90°
• Cell volume: 2630.1 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.897 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes