Information card for entry 1506443

Structure parameters

• Common name: malettinin D
• Formula: C16 H16 O7
• Calculated formula: C16 H16 O7
• SMILES: [C@@]12(O)OC(=O)C=C([C@]31C[C@H]([C@@]1(OC=C(C1=O)C)[C@@H]2C(=O)O3)C)C.[C@]12(O)OC(=O)C=C([C@@]31C[C@@H]([C@]1(OC=C(C1=O)C)[C@H]2C(=O)O3)C)C
• Title of publication: Malettinins B-D: new polyketide metabolites from an unidentified fungal colonist of Hypoxylon Stromata (NRRL 29110).
• Authors of publication: Angawi, Rihab F.; Swenson, Dale C.; Gloer, James B.; Wicklow, Donald T.
• Journal of publication: Journal of natural products
• Year of publication: 2005
• Journal volume: 68
• Journal issue: 2
• Pages of publication: 212 - 216
• a: 16.525 ± 0.007 Å
• b: 7.74 ± 0.002 Å
• c: 12.559 ± 0.006 Å
• α: 90°
• β: 110.18 ± 0.03°
• γ: 90°
• Cell volume: 1507.7 ± 1.1 ų
• Cell temperature: 215 ± 2 K
• Ambient diffraction temperature: 215 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No