Information card for entry 1518416

Structure parameters

• Formula: C34 H35 N O14
• Calculated formula: C34 H35 N O14
• SMILES: O=C(C)Cc1cc2CCc3c(O)c4Oc5ccc(OC)c(O)c5C(=O)c4c(O)c3c2c(O)c1C(=O)N[C@@](C)(CO)C(=O)O.O=C(OCC)C
• Title of publication: Pentacyclic antibiotics from a tidal mud flat-derived actinomycete.
• Authors of publication: Moon, Kyuho; Chung, Beomkoo; Shin, Yoonho; Rheingold, Arnold L.; Moore, Curtis E.; Park, Sung Jean; Park, Sunghyouk; Lee, Sang Kook; Oh, Ki-Bong; Shin, Jongheon; Oh, Dong-Chan
• Journal of publication: Journal of natural products
• Year of publication: 2015
• Journal volume: 78
• Journal issue: 3
• Pages of publication: 524 - 529
• a: 7.4957 ± 0.0003 Å
• b: 12.0298 ± 0.0004 Å
• c: 17.8347 ± 0.0007 Å
• α: 87.387 ± 0.0012°
• β: 87.555 ± 0.0011°
• γ: 74.708 ± 0.001°
• Cell volume: 1548.85 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0889
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No