Information card for entry 1516587

Structure parameters

• Formula: C22 H19 Br N2 O5
• Calculated formula: C22 H19 Br N2 O5
• SMILES: Brc1cccc2N(C(=O)[C@@]3(c12)CCOC(=O)[C@]3(CC=C)c1ccccc1N(=O)=O)C
• Title of publication: A diastereodivergent synthetic strategy for the syntheses of communesin f and perophoramidine.
• Authors of publication: Han, Seo-Jung; Vogt, Florian; Krishnan, Shyam; May, Jeremy A.; Gatti, Michele; Virgil, Scott C.; Stoltz, Brian M.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 3316 - 3319
• a: 9.1581 ± 0.0002 Å
• b: 12.6857 ± 0.0003 Å
• c: 16.703 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1940.5 ± 0.07 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: 0.0337
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No