Information card for entry 7135756

Structure parameters

• Chemical name: AB
• Formula: C40 H48 Br2 N2 O12
• Calculated formula: C40 H48 Br2 N2 O12
• 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: 14.999 ± 0.002 Å
• b: 6.795 ± 0.0009 Å
• c: 19.182 ± 0.003 Å
• α: 90°
• β: 92.074 ± 0.005°
• γ: 90°
• Cell volume: 1953.7 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0482
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1236
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No