Information card for entry 2004979

Structure parameters

• Formula: C31 H48 N4 O4
• Calculated formula: C31 H48 N4 O5
• SMILES: CN[C@@H](C(c1cn(c2c1cccc2)C)(C)C)C(=O)N[C@@H](C(C)(C)C)C(=O)N([C@@H](C(C)C)/C=C(/C(OC)=O)C)C
• Title of publication: Hemiasterlin Methyl Ester
• Authors of publication: Coleman, J. E.; Patrick, B. O.; Andersen, R. J.; Rettig, S. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1525 - 1527
• a: 12.2102 ± 0.0008 Å
• b: 31.464 ± 0.002 Å
• c: 8.368 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3214.8 ± 0.8 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0375
• Goodness-of-fit parameter for significantly intense reflections: 2.207
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No