Information card for entry 4030306

Structure parameters

• Formula: C34 H45 Br N2 O6 Si
• Calculated formula: C34 H45 Br N2 O6 Si
• SMILES: Brc1cc(N(=O)=O)c([C@](C(=O)OCC=C)(CC=C)[C@@]2(c3ccccc3N(C2=O)C)CCO[Si](C(C)C)(C(C)C)C(C)C)cc1.Brc1cc(N(=O)=O)c([C@@](C(=O)OCC=C)(CC=C)[C@]2(c3ccccc3N(C2=O)C)CCO[Si](C(C)C)(C(C)C)C(C)C)cc1
• Title of publication: Evolution of a Unified, Stereodivergent Approach to the Synthesis of Communesin F and Perophoramidine.
• Authors of publication: Han, Seo-Jung; Vogt, Florian; May, Jeremy A.; Krishnan, Shyam; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 80
• Journal issue: 1
• Pages of publication: 528
• a: 8.0482 ± 0.0004 Å
• b: 14.1277 ± 0.0008 Å
• c: 15.3665 ± 0.0008 Å
• α: 99.073 ± 0.002°
• β: 94.101 ± 0.003°
• γ: 91.448 ± 0.002°
• Cell volume: 1719.75 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0754
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No