Information card for entry 1562546

Structure parameters

• Formula: C26 H32 O7
• Calculated formula: C26 H32 O7
• SMILES: O1[C@@]2(O[C@@H]3C[C@]41[C@@]([C@@H]1[C@@H](CC4)C4=CC(=O)[C@H](c5ccc(=O)oc5)[C@@]4(C)CC1)([C@H](O2)C3)C)C.O
• 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: 12.1262 ± 0.0008 Å
• b: 14.4026 ± 0.0007 Å
• c: 13.3342 ± 0.0008 Å
• α: 90°
• β: 105.607 ± 0.004°
• γ: 90°
• Cell volume: 2242.9 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1056
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No