Information card for entry 1574522

Structure parameters

• Formula: C27 H35 O4
• Calculated formula: C27 H35 O4
• Title of publication: α-N-phthalimido-oxy isobutyrate-mediated deoxygenative arylation: total synthesis of alanenses A and B
• Authors of publication: Hyun, Young Eum; Kweon, Jeonguk; Linh Phan, Thi Hieu; Kim, Dongwook; Han, Sunkyu
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 9943 - 9950
• a: 14.2241 ± 0.0007 Å
• b: 11.8676 ± 0.0006 Å
• c: 14.8052 ± 0.0008 Å
• α: 90°
• β: 111.477 ± 0.0016°
• γ: 90°
• Cell volume: 2325.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No