Information card for entry 2017521

Structure parameters

• Chemical name: (2<i>S</i>,4<i>R</i>)-2-(<i>N</i>-{(1<i>S</i>,2<i>S</i>)-2-chloro-1- [(3<i>R</i>,4<i>S</i>,5<i>R</i>,6<i>R</i>)-3,4,5-trihydroxy-6- (methylsulfanyl)perhydropyran-2-yl]propyl}aminocarbonyl)-4-propylpyrrolidinium chloride monohydrate
• Formula: C18 H36 Cl2 N2 O6 S
• Calculated formula: C18 H36 Cl2 N2 O6 S
• Title of publication: Clindamycin hydrochloride monohydrate and its ethanol solvate
• Authors of publication: Ravikumar, Krishnan; Sridhar, Balasubramanian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o97 - o100
• a: 9.4669 ± 0.0006 Å
• b: 9.9255 ± 0.0006 Å
• c: 13.4949 ± 0.0008 Å
• α: 90°
• β: 104.601 ± 0.001°
• γ: 90°
• Cell volume: 1227.08 ± 0.13 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes