Information card for entry 2200707

Structure parameters

• Formula: C20.25 H22 N3 O3.25
• Calculated formula: C20.25 H22 N3 O3.25
• SMILES: N1C(=O)C2=Cc3c([nH]c4cc(OC)ccc34)C(C)(C)C=CN2C(=O)[C@@H]1C.OC
• Title of publication: Cycloechinulin, a Trp-Ala-derived alkaloid from the fungus <i>Aspergillus ochraceus</i>
• Authors of publication: Hansen, Lars Kr.; Størmer, Fredrik C.; Petersen, Dirk; Aasen, Arne J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: o909 - o912
• a: 15.222 ± 0.002 Å
• b: 16.848 ± 0.002 Å
• c: 15.93 ± 0.002 Å
• α: 90°
• β: 114.27 ± 0.01°
• γ: 90°
• Cell volume: 3724.3 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1767
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections included in the refinement: 0.2089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.826
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No