Information card for entry 4030305

Structure parameters

• Formula: C27 H30 N2 O7 S
• Calculated formula: C27 H30 N2 O7 S
• SMILES: S(=O)(=O)(N1CC[C@@]2(c3c([C@@H]1C=C(C)C)cccc3NC2=O)C(C(=O)OC)C(=O)OC)c1ccc(cc1)C.S(=O)(=O)(N1CC[C@]2(c3c([C@H]1C=C(C)C)cccc3NC2=O)C(C(=O)OC)C(=O)OC)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: 9.5308 ± 0.0008 Å
• b: 9.7901 ± 0.0009 Å
• c: 13.8253 ± 0.0012 Å
• α: 90°
• β: 100.914 ± 0.002°
• γ: 90°
• Cell volume: 1266.67 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.413
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No