Information card for entry 1501803

Structure parameters

• Formula: C49 H79 N6 O13.5
• Calculated formula: C49 H79 N6 O13.5
• SMILES: O=C1O[C@@H](C(C(=O)N[C@H](C(=O)N2[C@H](C(=O)O[C@H](C(=O)N3[C@H](C(=O)N4[C@H](C(=O)N[C@H](C(=O)N5[C@H]1CCC5)[C@@H](Cc1ccccc1)C)CCC4)CCC3)C(C)C)CCC2)C(C)C)(C)C)CCC.O.O.O.O
• Title of publication: Pitiprolamide, a proline-rich dolastatin 16 analogue from the marine cyanobacterium Lyngbya majuscula from Guam.
• Authors of publication: Montaser, Rana; Abboud, Khalil A.; Paul, Valerie J.; Luesch, Hendrik
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 1
• Pages of publication: 109 - 112
• a: 10.534 ± 0.002 Å
• b: 14.952 ± 0.003 Å
• c: 33.511 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5278.1 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.1639
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 0.727
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No