Information card for entry 4030309

Structure parameters

• Formula: C23 H24 Br N3 O4
• Calculated formula: C23 H24 Br N3 O4
• SMILES: Brc1c2[C@](C(=O)N(c2ccc1)C)(CCO)[C@@]12c3ccccc3N([C@@H]1NCC2)C(=O)OC.Brc1c2[C@@](C(=O)N(c2ccc1)C)(CCO)[C@]12c3ccccc3N([C@H]1NCC2)C(=O)OC
• 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: 8.932 ± 0.0003 Å
• b: 27.1836 ± 0.001 Å
• c: 9.0145 ± 0.0003 Å
• α: 90°
• β: 107.683 ± 0.002°
• γ: 90°
• Cell volume: 2085.34 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.0646
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 2.528
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No