Information card for entry 2004044

Structure parameters

• Formula: C25 H34 O4
• Calculated formula: C25 H34 O4
• SMILES: CC(=O)Oc1ccc(cc1C[C@]1(C)[C@@H](C)CC[C@]2([C@H]1CCC=C2C)C)OC(=O)C
• Title of publication: Studies on Avarol Derivatives. 2',5'-Diacetylavarol from <i>Dysidea Avara</i>
• Authors of publication: Puliti, R.; De Rosa, S.; Mattia, C. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 10
• Pages of publication: 2163 - 2166
• a: 10.184 ± 0.002 Å
• b: 13.362 ± 0.001 Å
• c: 16.429 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2235.6 ± 0.5 ų
• Cell temperature: 293 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No