Information card for entry 4030312

Structure parameters

• Formula: C26 H22 N4 O5 S
• Calculated formula: C26 H22 N4 O5 S
• SMILES: S(=O)(=O)(N1Cc2cccc3NC(=O)[C@](c23)(CC1)[C@H](C#N)c1ccccc1N(=O)=O)c1ccc(cc1)C.S(=O)(=O)(N1Cc2cccc3NC(=O)[C@@](c23)(CC1)[C@@H](C#N)c1ccccc1N(=O)=O)c1ccc(cc1)C
• 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: 13.243 ± 0.002 Å
• b: 14.115 ± 0.002 Å
• c: 25.059 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4684.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2168
• Residual factor for significantly intense reflections: 0.1085
• Weighted residual factors for significantly intense reflections: 0.1814
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.294
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No