Information card for entry 1506914

Structure parameters

• Common name: Depsilairdin
• Formula: C38 H67 N3 O10
• Calculated formula: C38 H67 N3 O10
• SMILES: N1([C@H](C(=O)O[C@H]2CC[C@](O)([C@H]3C[C@H](CC[C@]23C)C(=C)C)C)[C@](O)([C@H](O)C1)C)C(=O)[C@@H](N(C)C(=O)[C@@H](N(C)C(=O)[C@H](O)C(C)C)C(C)C)C(C)C.O
• Title of publication: Chemical mediators: the remarkable structure and host-selectivity of depsilairdin, a sesquiterpenic depsipeptide containing a new amino acid.
• Authors of publication: Pedras, M Soledade C; Chumala, Paulos B.; Quail, J. Wilson
• Journal of publication: Organic letters
• Year of publication: 2004
• Journal volume: 6
• Journal issue: 24
• Pages of publication: 4615 - 4617
• a: 15.128 ± 0.0002 Å
• b: 6.86 ± 0.0001 Å
• c: 19.886 ± 0.0004 Å
• α: 90°
• β: 104.813 ± 0.0007°
• γ: 90°
• Cell volume: 1995.14 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No