Information card for entry 4116935

Structure parameters

• Common name: Vancomycin hydrochloride
• Formula: C67 H79 Cl4 N9 O47.7
• Calculated formula: C67 H79 Cl4 N9 O47.705
• Title of publication: Simultaneous Recognition of a Carboxylate-Containing Ligand and an Intramolecular Surrogate Ligand in the Crystal Structure of an Asymmetric Vancomycin Dimer
• Authors of publication: Patrick J. Loll; Anthony E. Bevivino; Brian D. Korty; Paul H. Axelsen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 1516 - 1522
• a: 28.45 ± 0.07 Å
• b: 28.45 ± 0.07 Å
• c: 65.84 ± 0.2 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 53291 ± 2 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections: 0.3164
• Weighted residual factors for significantly intense reflections: 0.2935
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.057
• Diffraction radiation wavelength: 0.85 Å
• Diffraction radiation type: synchrotronX-ray
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes