Information card for entry 5000050

Structure parameters

• Chemical name: Carboxy-decarboxamido-vancomycin hydrate
• Formula: C66 H76 Cl2 N8 O26
• Calculated formula: C66 Cl2 N8 O56
• Title of publication: Structure of vancomycin and its complex with acetyl-D-alanyl-D-alanine
• Authors of publication: Sheldrick, George M.; Jones, Peter G.; Kennard, Olga; Williams, Dudley H.; Smith, Gerald A.
• Journal of publication: Nature (London, United Kingdom)
• Year of publication: 1978
• Journal volume: 271
• Journal issue: 5642
• Pages of publication: 223
• a: 13.926 ± 0.005 Å
• b: 21.578 ± 0.005 Å
• c: 33.802 ± 0.014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10157.3 ų
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.16
• Weighted residual factors for significantly intense reflections: 0.16
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No