Information card for entry 7151221

Structure parameters

• Formula: C50 H88 N2 O10 Si
• Calculated formula: C50 H88 N2 O10 Si
• SMILES: [Si](O[C@@H](/C=C/C)C[C@@H]1O[C@H]([C@H](CC1)C)CC(=O)NC[C@H](OC(=O)C)[C@H](C)C(=O)NCCC[C@H]1O[C@]2(O[C@@H](CCC2)CC[C@H](C)/C=C(C)/[C@@H](OC(=O)C)C)CC[C@@H]1C)(C)(C)C(C)(C)C
• Title of publication: Synthesis of derivatives of potent antitumor bistramides D and A leading to the first crystal structure of natural bistramide D.
• Authors of publication: Bauder, Claude; Biard, Jean-François; Solladié, Guy
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 1860 - 1862
• a: 14.371 ± 0.002 Å
• b: 9.5023 ± 0.001 Å
• c: 21.501 ± 0.003 Å
• α: 90°
• β: 103.55 ± 0.05°
• γ: 90°
• Cell volume: 2854.4 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1821
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.2129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No