Information card for entry 2233993

Structure parameters

• Chemical name: Erythromycin A dimethyl sulfoxide disolvate 1.43-hydrate
• Formula: C41 H81.86 N O16.43 S2
• Calculated formula: C41 H81.864 N O16.432 S2
• Title of publication: Erythromycin A dimethyl sulfoxide disolvate 1.43-hydrate
• Authors of publication: Brüning, Jürgen; Trepte, Tanja K.; Bats, Jan W.; Schmidt, Martin U.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o700 - o701
• a: 11.1716 ± 0.0007 Å
• b: 19.4025 ± 0.0012 Å
• c: 12.0025 ± 0.0007 Å
• α: 90°
• β: 106.245 ± 0.001°
• γ: 90°
• Cell volume: 2497.8 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.099
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1422
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes