Information card for entry 4022585

Structure parameters

• Formula: C33 H47 Cl N8 O12
• Calculated formula: C33 H47 Cl N8 O12
• SMILES: Cl[C@H]1C[C@H]2N(NC1)C(=O)[C@@H](NC(=O)[C@@H]1N(NC[C@H](O)C1)C(=O)COC(=O)[C@@](NC(=O)[C@H]1N(NC[C@@H](O)C1)C2=O)(CO)C)C/C=C/C=C/C(C)C.OC.OC
• Title of publication: Piperazimycins: Cytotoxic Hexadepsipeptides from a Marine-Derived Bacterium of the Genus Streptomyces
• Authors of publication: Eric D. Miller; Christopher A. Kauffman; Paul R. Jensen; William Fenical
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 323 - 330
• a: 9.771 ± 0.004 Å
• b: 16.391 ± 0.006 Å
• c: 24.532 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3929 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• 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 all reflections: 0.1914
• Residual factor for significantly intense reflections: 0.1539
• Weighted residual factors for significantly intense reflections: 0.3918
• Weighted residual factors for all reflections included in the refinement: 0.4114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.413
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No