Information card for entry 7251565

Structure parameters

• Formula: C41 H46 O5
• Calculated formula: C41 H46 O5
• Title of publication: TADDOLs & Methylcyclohexanones: Selectivity, Resolution and Kinetics of decomposition
• Authors of publication: Bawa, Hana; Su, Hong; De Doncker, Stephen; Bourne, Susan A.; Nassimbeni, Luigi
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 9.324 ± 0.002 Å
• b: 15.978 ± 0.004 Å
• c: 22.244 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3313.9 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0345
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No