Information card for entry 2004452

Structure parameters

• Formula: C25 H26 O7
• Calculated formula: C25 H26 O7
• SMILES: O=C1C=C[C@](O1)(C)[C@@H]1C[C@@]2(OC1(C)C)O[C@@H]1C(=C2)[C@@]23C[C@@]3(CC1)[C@@H](OC2=O)c1cocc1
• Title of publication: Tricoccin R2
• Authors of publication: Sekar, K.; Parthasarathy, S.; Schenk, H.; Epe, B.; Mondon, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 92 - 94
• 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 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 significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.058
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No