Information card for entry 1505803

Structure parameters

• Formula: C36 H38 N2 O10
• Calculated formula: C36 H38 N2 O10
• SMILES: O(C(=O)c1ccc(N(=O)=O)cc1)C/C=C(/[C@H]1[C@@H](/C=C/C=C/C(=O)OC)[C@H]2[C@H](C=C1C)[C@@H](OC(=O)c1ccc(N(=O)=O)cc1)CC[C@@H]2C)C
• Title of publication: Carneic acids A and B, chemotaxonomically significant antimicrobial agents from the xylariaceous ascomycete Hypoxylon carneum.
• Authors of publication: Quang, Dang Ngoc; Stadler, Marc; Fournier, Jacques; Asakawa, Yoshinori
• Journal of publication: Journal of natural products
• Year of publication: 2006
• Journal volume: 69
• Journal issue: 8
• Pages of publication: 1198 - 1202
• a: 6.564 ± 0.0002 Å
• b: 15.654 ± 0.0006 Å
• c: 16.701 ± 0.0006 Å
• α: 94.618 ± 0.0005°
• β: 92.568 ± 0.0005°
• γ: 100.754 ± 0.0005°
• Cell volume: 1677.32 ± 0.1 ų
• Cell temperature: 100 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: 0.1049
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2313
• Weighted residual factors for all reflections included in the refinement: 0.252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No