Information card for entry 1504792

Structure parameters

• Formula: C26 H27 Br O4
• Calculated formula: C26 H27 Br O4
• SMILES: Brc1ccc(C(=O)O[C@@H]2[C@]3(CC=C4[C@@]5(O[C@@]6(CCCC(=O)C6=C4)CC5)[C@@H]3CC2)C)cc1
• Title of publication: A concise synthesis of the pentacyclic framework of cortistatins.
• Authors of publication: Yamashita, Shuji; Iso, Kentaro; Hirama, Masahiro
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 16
• Pages of publication: 3413 - 3415
• a: 21.235 ± 0.017 Å
• b: 8.271 ± 0.007 Å
• c: 13.904 ± 0.011 Å
• α: 90°
• β: 92.777 ± 0.011°
• γ: 90°
• Cell volume: 2439 ± 3 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 4
• 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: 0.0687
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No