Information card for entry 7154535

Structure parameters

• Chemical name: chaunolidine C
• Formula: C22 H29 N O5
• Calculated formula: C22 H29 N O5
• SMILES: c1(ccc(cc1)/C=C1/C(=O)/C(=C(\[C@H](C[C@H](C/C=C/C)C)C)O)C(=O)N1)O.CO
• Title of publication: New PKS-NRPS tetramic acids and pyridinone from an Australian marine-derived fungus, Chaunopycnis sp.
• Authors of publication: Shang, Zhuo; Li, Li; Espósito, Breno P; Salim, Angela A.; Khalil, Zeinab G.; Quezada, Michelle; Bernhardt, Paul V.; Capon, Robert J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 28
• Pages of publication: 7795 - 7802
• a: 6.6012 ± 0.0004 Å
• b: 8.1654 ± 0.0006 Å
• c: 19.8307 ± 0.0013 Å
• α: 84.197 ± 0.005°
• β: 84.853 ± 0.005°
• γ: 85.592 ± 0.005°
• Cell volume: 1056.66 ± 0.12 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.092
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1664
• Weighted residual factors for all reflections included in the refinement: 0.1858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No