Information card for entry 1540720

Structure parameters

• Formula: C27 H38 O4
• Calculated formula: C27 H38 O4
• SMILES: C1CC(=C)[C@H]([C@]2(CC[C@@H]3[C@]([C@H]12)(C[C@@H](C=C(C)C)O3)C)C)Cc1c(c(c(C)oc1=O)C)O
• Title of publication: Higginsianins A and B, Two Diterpenoid α-Pyrones Produced by Colletotrichum higginsianum, with in Vitro Cytostatic Activity.
• Authors of publication: Cimmino, Alessio; Mathieu, Veronique; Masi, Marco; Baroncelli, Riccardo; Boari, Angela; Pescitelli, Gennaro; Ferderin, Marlène; Lisy, Romana; Evidente, Marco; Tuzi, Angela; Zonno, Maria Chiara; Kornienko, Alexander; Kiss, Robert; Evidente, Antonio
• Journal of publication: Journal of natural products
• Year of publication: 2016
• Journal volume: 79
• Journal issue: 1
• Pages of publication: 116 - 125
• a: 7.234 ± 0.001 Å
• b: 10.321 ± 0.001 Å
• c: 19.308 ± 0.002 Å
• α: 85.37 ± 0.01°
• β: 79.85 ± 0.02°
• γ: 69.87 ± 0.01°
• Cell volume: 1332 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.2219
• Residual factor for significantly intense reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.2105
• Weighted residual factors for all reflections included in the refinement: 0.2528
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No