Information card for entry 2004453

Structure parameters

• Formula: C27 H34 O5
• Calculated formula: C27 H34 O5
• SMILES: COC(=O)C[C@@H]1[C@]2(C)C(=CC(=O)C1(C)C)O[C@]1([C@@H]2CC[C@@]2(C1=CC[C@H]2c1cocc1)C)C
• Title of publication: Tricoccin S~43~
• Authors of publication: Sekar, K.; Parthasarathy, S.; Schenk, H.; Mondon, A.; Epe, B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 110 - 112
• a: 10.181 ± 0.002 Å
• b: 14.635 ± 0.002 Å
• c: 16.076 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2395.3 ± 0.6 ų
• Cell temperature: 292 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: 0.064
• Weighted residual factors for significantly intense reflections: 0.078
• Goodness-of-fit parameter for significantly intense reflections: 1.442
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No