Information card for entry 7158897

Structure parameters

• Formula: C27 H41 N2 O4
• Calculated formula: C27 H41 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: 17.0655 ± 0.0008 Å
• b: 10.6435 ± 0.0005 Å
• c: 16.6001 ± 0.0008 Å
• α: 90°
• β: 116.597 ± 0.008°
• γ: 90°
• Cell volume: 2696.1 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No