Information card for entry 1517165

Structure parameters

• Formula: C38 H53 Cl9 N2 O11
• Calculated formula: C38 H53 Cl9 N2 O11
• SMILES: c1(cc2c3c(c1OC)C[C@H](C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)N2[C@H](C)CC(=O)[C@@H](O3)OC)C)OC)OC(=O)N)C)C)O)OC)C)O.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Natalamycin A, an Ansamycin from a Termite-Associated Streptomyces sp.
• Authors of publication: Kim, Ki Hyun; Ramadhar, Timothy R.; Beemelmanns, Christine; Cao, Shugeng; Poulsen, Michael; Currie, Cameron R.; Clardy, Jon
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 11
• Pages of publication: 4333 - 4338
• a: 12.936 ± 0.0018 Å
• b: 17.448 ± 0.002 Å
• c: 21.111 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4764.9 ± 1.1 ų
• Cell temperature: 15 ± 2 K
• Ambient diffraction temperature: 15 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: 0.0649
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.1913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.41328 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No