Information card for entry 2200118

Structure parameters

• Formula: C25 H28 O8
• Calculated formula: C25 H28 O8
• SMILES: C1=CC(=O)O[C@@]1([C@@H]1C(C)(C)O[C@]2(C1)O[C@@H]1[C@@]([C@@]34[C@@](CC1)([C@@H](OC3=O)c1ccoc1)C4)(O)C2)C
• Title of publication: Tricoccin R6
• Authors of publication: Ajees, A. Abdul; Sekar, K.; Parthasarathy, S.; Schenk, H.; Epe, B.; Mondon, A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: o116 - o117
• a: 7.224 ± 0.002 Å
• b: 15.521 ± 0.002 Å
• c: 20.404 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2287.8 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.038
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes