Information card for entry 1553325

Structure parameters

• Formula: C26.5 H31 F N O6
• Calculated formula: C26.5 H31 F N O6
• SMILES: [C@@H]1([C@@H]2[C@]3([C@H](C=C[C@]2([C@@H]2CC[C@@]4(C[C@]12CC4=C)O)OC3=O)O)C)C(=O)NCc1ccc(cc1)F.CO.O
• Title of publication: Identification of Gibberellic Acid Derivatives That Deregulate Cholesterol Metabolism in Prostate Cancer Cells.
• Authors of publication: Egbewande, Folake A.; Sadowski, Martin C.; Levrier, Claire; Tousignant, Kaylyn D.; White, Jonathan M.; Coster, Mark J.; Nelson, Colleen C.; Davis, Rohan A.
• Journal of publication: Journal of natural products
• Year of publication: 2018
• Journal volume: 81
• Journal issue: 4
• Pages of publication: 838 - 845
• a: 9.4144 ± 0.0002 Å
• b: 25.4932 ± 0.0004 Å
• c: 10.9393 ± 0.0002 Å
• α: 90°
• β: 115.504 ± 0.002°
• γ: 90°
• Cell volume: 2369.63 ± 0.09 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No