Information card for entry 4024747

Structure parameters

• Formula: C50 H59 Br4 N10 O6 Si2
• Calculated formula: C50 H59 Br4 N10 O6 Si2
• SMILES: Brc1cc(n(c1Br)COCC[Si](C)(C)C)C(=O)N1N2C3=NCc4c(cccc4)CN3C(=O)[C@@H]2C[C@@H](C1)[C@@H]1CN(N2[C@@H](C1)C(=O)N1C2=NCc2c(C1)cccc2)C(=O)c1n(c(Br)c(Br)c1)COCC[Si](C)(C)C.Brc1cc(n(c1Br)COCC[Si](C)(C)C)C(=O)N1N2C3=NCc4c(cccc4)CN3C(=O)[C@H]2C[C@H](C1)[C@H]1CN(N2[C@H](C1)C(=O)N1C2=NCc2c(C1)cccc2)C(=O)c1n(c(Br)c(Br)c1)COCC[Si](C)(C)C
• Title of publication: Exploring Symmetry-Based Logic for a Synthesis of Palau'amine
• Authors of publication: Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 5909 - 5919
• a: 10.888 ± 0.005 Å
• b: 15.141 ± 0.005 Å
• c: 19.004 ± 0.005 Å
• α: 77.543 ± 0.005°
• β: 89.825 ± 0.005°
• γ: 73.373 ± 0.005°
• Cell volume: 2925.5 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0783
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.2314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No