Information card for entry 7135755

Structure parameters

• Formula: C22 H25 Br F3 N O6
• Calculated formula: C22 H25 Br F3 N O6
• Title of publication: Total Synthesis of (+)-Xiamycin G via Acetanilide Assisted Two-Fold Csp2-H Functionalization
• Authors of publication: Nandi, Rhituparna; Biswas, Souvik; Sadhukhan, Sreyashi; Das, Apurba; Bisai, Alakesh
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 9.0372 ± 0.0001 Å
• b: 15.3324 ± 0.0002 Å
• c: 16.3225 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2261.68 ± 0.05 ų
• Cell temperature: 99.99 ± 0.18 K
• Ambient diffraction temperature: 99.99 ± 0.18 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: 0.0315
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No