Information card for entry 7158133

Structure parameters

• Formula: C24 H35 Cl N8 O10
• Calculated formula: C24 H35 Cl N8 O10
• SMILES: Cl[C@@H]1CNN2C(=O)[C@@H](NC(=O)[C@@H]3N(N=C[C@H](O)[C@@H]3O)C(=O)COC(=O)[C@@](NC(=O)[C@H]3N(NCCC3)C(=O)[C@H]2C1)(CO)C)C
• Title of publication: Chlorinated metabolites from Streptomyces sp. highlight the role of biosynthetic mosaics and superclusters in the evolution of chemical diversity.
• Authors of publication: Morshed, Mahmud T.; Lacey, Ernest; Vuong, Daniel; Lacey, Alastair E.; Lean, Soo Sum; Moggach, Stephen A.; Karuso, Peter; Chooi, Yit-Heng; Booth, Thomas J.; Piggott, Andrew M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 27
• Pages of publication: 6147 - 6159
• a: 6.7387 ± 0.0001 Å
• b: 9.5889 ± 0.0001 Å
• c: 44.6727 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2886.6 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0349
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No