Information card for entry 1543800

Structure parameters

• Formula: C30 H38 N4 O7
• Calculated formula: C30 H38 N4 O7
• SMILES: O=C1Nc2c(ccc(OCc3ccccc3)c2)/C=C/[C@H](NC(=O)OC(C)(C)C)[C@@H](O)[C@@H](C(=O)NCC(=O)N[C@@H]1C)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: 28.205 ± 0.007 Å
• b: 5.7857 ± 0.0014 Å
• c: 17.974 ± 0.004 Å
• α: 90°
• β: 91.077 ± 0.004°
• γ: 90°
• Cell volume: 2932.6 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1443
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No