Information card for entry 2011921

Structure parameters

• Common name: Tricoccin R2
• Formula: C25 H26 O7
• Calculated formula: C25 H26 O7
• SMILES: C1=CC(=O)O[C@]1([C@H]1C(O[C@]2(C1)O[C@@H]1C(=C2)[C@]23[C@](CC1)([C@@H](OC2=O)c1ccoc1)C3)(C)C)C
• Title of publication: Tricoccin R2. Erratum
• Authors of publication: Abdul Ajees, A.; Sekar, K.; Parthasarathy, S.; Schenk, H.; Epe, B.; Mondon, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 499 - 499
• a: 22.939 ± 0.001 Å
• b: 6.574 ± 0.002 Å
• c: 16.481 ± 0.002 Å
• α: 90°
• β: 114.67 ± 0.01°
• γ: 90°
• Cell volume: 2258.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes