Information card for entry 4024744

Structure parameters

• Formula: C52 H62 Br4 N10 O8 Si2
• Calculated formula: C52 H62 Br4 N10 O8 Si2
• SMILES: c1(cc(C(=O)N2N3C4=NCc5c(CN4C(=O)C3=C[C@@H]([C@H]3C=C4N(N(C(=O)c6cc(c(n6CCOC[Si](C)(C)C)Br)Br)C3)C3=NCc6c(CN3C4=O)cccc6)C2)cccc5)n(c1Br)CCOC[Si](C)(C)C)Br.OC.OC
• 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: 9.857 ± 0.0014 Å
• b: 10.348 ± 0.0013 Å
• c: 14.654 ± 0.002 Å
• α: 83.814 ± 0.004°
• β: 84.734 ± 0.004°
• γ: 77.178 ± 0.006°
• Cell volume: 1445.4 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1087
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No