Information card for entry 7158896

Structure parameters

• Chemical name: boneratamide A
• Formula: C25 H40 N2 O4
• Calculated formula: C25 H40 N2 O4
• Title of publication: Bioinspired total synthesis of boneratamides A–C
• Authors of publication: Ooka, Kaito; Nakanishi, Keisuke; Udagawa, Yutaro; Ichikawa, Yoshiyasu; Hosokawa, Seijiro
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 7.9942 ± 0.0002 Å
• b: 10.5274 ± 0.0003 Å
• c: 29.6819 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2497.97 ± 0.12 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• 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: 0.0479
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No