Information card for entry 4030308

Structure parameters

• Formula: C22 H20 N2 O5
• Calculated formula: C22 H20 N2 O5
• SMILES: O=N(=O)c1c([C@@]2(CC=C)C(=O)OCC[C@]32c2ccccc2N(C3=O)C)cccc1.O=N(=O)c1c([C@]2(CC=C)C(=O)OCC[C@@]32c2ccccc2N(C3=O)C)cccc1
• 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: 7.5798 ± 0.0003 Å
• b: 30.0522 ± 0.0012 Å
• c: 8.3663 ± 0.0003 Å
• α: 90°
• β: 103.61 ± 0.0019°
• γ: 90°
• Cell volume: 1852.24 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• 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: 0.07
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1139
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.633
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No