Information card for entry 7157294

Structure parameters

• Formula: C20 H26 O3 S
• Calculated formula: C20 H26 O3 S
• Title of publication: Total synthesis of exigurin: the Ugi reaction in a hypothetical biosynthesis of natural products.
• Authors of publication: Hosokawa, Seijiro; Nakanishi, Keisuke; Udagawa, Yutaro; Maeda, Mitsutoshi; Sato, Seiya; Nakano, Keiji; Masuda, Toshiya; Ichikawa, Yoshiyasu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 4
• Pages of publication: 687 - 693
• a: 8.009 ± 0.0004 Å
• b: 8.009 ± 0.0004 Å
• c: 49.0398 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2724.2 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No