Information card for entry 1503466

Structure parameters

• Common name: Metacridamide A
• Formula: C37 H55 N O6
• Calculated formula: C37 H55 N O6
• SMILES: O1C(=O)[C@H](Cc2ccccc2)NC(=O)C(=C[C@H](C)[C@H](O)C(=C[C@H](C)[C@H](OC(=O)C)C(=C[C@H](C)[C@H]1[C@H](C[C@H](CC)C)C)C)C)C
• Title of publication: Metacridamides A and B, Macrocycles from Conidia of the Entomopathogenic Fungus Metarhizium acridum.
• Authors of publication: Krasnoff, Stuart B.; Englich, Ulrich; Miller, Paula G.; Shuler, Michael L.; Glahn, Raymond P.; Donzelli, Bruno G. G.; Gibson, Donna M.
• Journal of publication: Journal of natural products
• Year of publication: 2012
• Journal volume: 75
• Journal issue: 2
• Pages of publication: 175 - 180
• a: 12.48 ± 0.003 Å
• b: 13.14 ± 0.003 Å
• c: 21.92 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3594.6 ± 1.4 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: 0.0531
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.9177 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No