Information card for entry 1562544

Structure parameters

• Formula: C26 H34 O7
• Calculated formula: C26 H34 O7
• SMILES: O1[C@@]2(O[C@@H]3C[C@@]41CC[C@@H]1[C@H](CC[C@@]5(C)[C@]1(O)C[C@H](O)[C@@H]5c1coc(=O)cc1)[C@@]4(C)[C@H](O2)C3)C
• Title of publication: Cytotoxic Compounds from the Stem Bark of Two subsp. of <i>Bersama abyssinica</i>.
• Authors of publication: Nyamboki, Divinah K.; Bedane, Kibrom G.; Hassan, Khadija; Brieger, Lukas; Strohmann, Carsten; Spiteller, Michael; Matasyoh, Josphat C.
• Journal of publication: Journal of natural products
• Year of publication: 2021
• Journal volume: 84
• Journal issue: 5
• Pages of publication: 1453 - 1458
• a: 10.3562 ± 0.0006 Å
• b: 10.6612 ± 0.0006 Å
• c: 19.9903 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2207.1 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0288
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No