Information card for entry 4127901

Structure parameters

• Formula: C38 H34 Br N5 O6 S
• Calculated formula: C38 H34 Br N5 O6 S
• SMILES: Brc1c(NC(=O)C)c([C@@H]([C@H](N2C(=O)c3c(C2=O)cccc3)C(=O)Nc2cccc3c2nccc3)CCCNS(=O)(=O)c2ccc(cc2)C)ccc1
• 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: 7.6634 ± 0.0002 Å
• b: 16.5163 ± 0.0003 Å
• c: 27.5414 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3485.94 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0378
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No