Information card for entry 4026775

Structure parameters

• Formula: C24 H23 N O4
• Calculated formula: C24 H23 N O4
• SMILES: O(C)c1ccc(C2=N[C@@]3(OC)[C@H]4[C@@H]2C(=O)[C@H]([C@H]([C@@H]4C)c2ccccc2)C3=O)cc1.O(C)c1ccc(C2=N[C@]3(OC)[C@@H]4[C@H]2C(=O)[C@@H]([C@@H]([C@H]4C)c2ccccc2)C3=O)cc1
• Title of publication: Synthesis and Reactivity of Bicyclo[3.2.1]octanoid-Derived Cyclopropanes
• Authors of publication: John R. Goodell; Jennifer L. Poole; Aaron B. Beeler; Jeffrey Aubé; John A. Porco
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 9792 - 9800
• a: 13.337 ± 0.004 Å
• b: 17.093 ± 0.005 Å
• c: 17.547 ± 0.005 Å
• α: 90°
• β: 105.324 ± 0.018°
• γ: 90°
• Cell volume: 3858 ± 2 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No