Information card for entry 1567830

Structure parameters

• Formula: C28 H30 O4
• Calculated formula: C28 H29 O4
• Title of publication: Total Synthesis of Antibacterial Polyketide Natural Product Thailandamide Lactone
• Authors of publication: Sharma, Himangshu; Mondal, Joyanta Mr.; Ghosh, Ananyo K. Mr.; Pal, Ritesh Ranjan Dr.; Goswami, Rajib Kumar
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 9.6794 ± 0.0011 Å
• b: 9.6794 ± 0.0011 Å
• c: 49.548 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4642.2 ± 1.1 ų
• Cell temperature: 105.33 K
• Ambient diffraction temperature: 105.33 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0731
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No