Information card for entry 4135213

Structure parameters

• Formula: C25 H49 N O3 S Si
• Calculated formula: C25 H49 N O3 S Si
• Title of publication: Streamlined Symmetrical Total Synthesis of Disorazole B1 and Design, Synthesis, and Biological Investigation of Disorazole Analogues
• Authors of publication: Nicolaou, K. C.; Krieger, Johannes; Murhade, Ganesh M.; Subramanian, Parthasarathi; Dherange, Balu D.; Vourloumis, Dionisios; Munneke, Stefan; Lin, Baiwei; Gu, Christine; Sarvaiaya, Hetal; Sandoval, Joseph; Zhang, Zhaomei; Aujay, Monette; Purcell, James W.; Gavrilyuk, Julia
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 9.176 ± 0.0002 Å
• b: 9.948 ± 0.0002 Å
• c: 15.9081 ± 0.0003 Å
• α: 90°
• β: 99.787 ± 0.001°
• γ: 90°
• Cell volume: 1431 ± 0.05 ų
• Cell temperature: 100 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: 0.0233
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0596
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No