Information card for entry 4127900

Structure parameters

• Formula: C38 H34 Br N5 O6 S
• Calculated formula: C38 H34 Br N5 O6 S
• SMILES: Brc1cccc([C@H]([C@@H](C(=O)Nc2cccc3cccnc23)N2C(=O)c3ccccc3C2=O)CCCNS(=O)(=O)c2ccc(cc2)C)c1NC(=O)C
• Title of publication: Total Synthesis and Stereochemical Assignment of Streptide.
• Authors of publication: Isley, Nicholas A.; Endo, Yusuke; Wu, Zhi-Chen; Covington, Brett C.; Bushin, Leah B.; Seyedsayamdost, Mohammad R.; Boger, Dale L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 43
• Pages of publication: 17361 - 17369
• a: 14.5382 ± 0.0005 Å
• b: 8.2269 ± 0.0002 Å
• c: 14.7591 ± 0.0004 Å
• α: 90°
• β: 100.535 ± 0.002°
• γ: 90°
• Cell volume: 1735.5 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No