Information card for entry 1543799

Structure parameters

• Formula: C26 H28 N4 O6
• Calculated formula: C26 H28 N4 O6
• SMILES: O=C1NCC(=O)N[C@H](C(=O)Nc2c(/C=C/[C@@H]3NC(=O)O[C@H]3[C@H]1C)ccc(OCc1ccccc1)c2)C
• Title of publication: Total Synthesis of the Marine Natural Product Solomonamide B Necessitates Stereochemical Revision.
• Authors of publication: Kashinath, K.; Jachak, Gorakhnath R.; Athawale, Paresh R.; Marelli, Udaya Kiran; Gonnade, Rajesh G.; Reddy, D. Srinivasa
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 13
• Pages of publication: 3178 - 3181
• a: 21.15 ± 0.01 Å
• b: 4.978 ± 0.003 Å
• c: 24.55 ± 0.011 Å
• α: 90°
• β: 104.86 ± 0.03°
• γ: 90°
• Cell volume: 2498 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1345
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.1956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No