Information card for entry 4039019

Structure parameters

• Formula: C12 H15 N O3 S
• Calculated formula: C12 H15 N O3 S
• Title of publication: Asymmetric synthesis of a stereopentade fragment toward latrunculins
• Authors of publication: Joyeux, Benjamin; Gamet, Antoine; Casaretto, Nicolas; Nay, Bastien
• Journal of publication: Beilstein Journal of Organic Chemistry
• Year of publication: 2023
• Journal volume: 19
• Pages of publication: 428 - 433
• a: 5.5075 ± 0.0016 Å
• b: 5.6395 ± 0.0015 Å
• c: 19.524 ± 0.006 Å
• α: 90°
• β: 93.936 ± 0.009°
• γ: 90°
• Cell volume: 605 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2167
• Weighted residual factors for all reflections included in the refinement: 0.2346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No