Information card for entry 4030313

Structure parameters

• Formula: C33 H27 Cl F3 N7 O6 S
• Calculated formula: C33 H27 Cl F3 N7 O6 S
• SMILES: S(=O)(=O)(N1C(=O)[C@@](CCN=N#N)(C2=Nc3cccc4[C@@H](N(CC[C@]2(Cl)c34)C(=O)C(F)(F)F)C=C(C)C)c2ccccc12)c1ccccc1N(=O)=O.S(=O)(=O)(N1C(=O)[C@](CCN=N#N)(C2=Nc3cccc4[C@H](N(CC[C@@]2(Cl)c34)C(=O)C(F)(F)F)C=C(C)C)c2ccccc12)c1ccccc1N(=O)=O
• 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: 10.9264 ± 0.0005 Å
• b: 12.1779 ± 0.0006 Å
• c: 14.2739 ± 0.0007 Å
• α: 73.033 ± 0.001°
• β: 67.662 ± 0.001°
• γ: 67.376 ± 0.001°
• Cell volume: 1597.82 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.637
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No