Information card for entry 4036564

Structure parameters

• Common name: 67 in manuscript
• Formula: C26 H42 N O4
• Calculated formula: C26 H42 N O4
• Title of publication: Stereoselective Synthesis of Isochromanones by an Asymmetric Ortho-Lithiation Strategy: Synthetic Access to the Isochromanone Core of the Ajudazols.
• Authors of publication: Essig, Sebastian; Menche, Dirk
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 5
• Pages of publication: 1943 - 1966
• a: 15.6 ± 0.004 Å
• b: 15.6 ± 0.004 Å
• c: 22.648 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5512 ± 3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No