Information card for entry 1503680

Structure parameters

• Formula: C40 H38 N4 O5
• Calculated formula: C40 H38 N4 O5
• SMILES: C1(=O)[C@H]([C@H](c2ccccc2)Oc2ccc(/C=C\NC(=O)[C@H](Cc3ccccc3)N1)cc2)NC(=O)[C@@H]1CCCN1C(=O)/C=C/c1ccccc1
• Title of publication: Amaiouine, a cyclopeptide alkaloid from the leaves of Amaioua guianensis.
• Authors of publication: de Oliveira, Pollyanna Laurindo; Tanaka, Clara M. A.; Kato, Lucília; da Silva, Cleuza C.; Medina, Rebeca Previate; Moraes, Aline P.; Sabino, José R; de Oliveira, Cecília M A
• Journal of publication: Journal of natural products
• Year of publication: 2009
• Journal volume: 72
• Journal issue: 6
• Pages of publication: 1195 - 1197
• a: 12.827 ± 0.002 Å
• b: 20.944 ± 0.004 Å
• c: 13.013 ± 0.002 Å
• α: 90°
• β: 90.26 ± 0.02°
• γ: 90°
• Cell volume: 3495.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.0911
• Weighted residual factors for significantly intense reflections: 0.2188
• Weighted residual factors for all reflections included in the refinement: 0.2627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No