Information card for entry 2238270

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>,<i>N</i>-Trimethyl-<i>N</i>-(methyl 5-deoxy-2,3-<i>O</i>-isopropylidene-β-D-ribofuranosid-5-yl)ammonium 4-methylbenzenesulfonate sesquihydrate
• Formula: C19 H34 N O8.5 S
• Calculated formula: C19 H31 N O7 S
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>-Trimethyl-<i>N</i>-(methyl 5-deoxy-2,3-<i>O</i>-isopropylidene-β-<small>D</small>-ribofuranosid-5-yl)ammonium 4-methylbenzenesulfonate sesquihydrate
• Authors of publication: Dmochowska, Barbara; Sikora, Karol; Chojnacki, Jaroslaw; Wojnowski, Wieslaw; Wiśniewski, Andrzej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1019 - o1020
• a: 11.4896 ± 0.0015 Å
• b: 7.9311 ± 0.0011 Å
• c: 13.4853 ± 0.0017 Å
• α: 90°
• β: 111.619 ± 0.012°
• γ: 90°
• Cell volume: 1142.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes