Information card for entry 4109359

Structure parameters

• Formula: C26 H24 N2 O2
• Calculated formula: C26 H24 N2 O2
• SMILES: C1(=O)C[C@@H](c2ccccc2)N2[C@H]([C@H](CC(=O)N12)c1ccccc1)c1cc(ccc1)C.C1(=O)C[C@H](c2ccccc2)N2[C@@H]([C@@H](CC(=O)N12)c1ccccc1)c1cc(ccc1)C
• Title of publication: Highly Stereoselective Formal [3 + 3] Cycloaddition of Enals and Azomethine Imines Catalyzed by N-Heterocyclic Carbenes
• Authors of publication: Audrey Chan; Karl A. Scheidt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 5334 - 5335
• a: 9.402 ± 0.0007 Å
• b: 10.0753 ± 0.0007 Å
• c: 10.88 ± 0.0008 Å
• α: 93.665 ± 0.001°
• β: 95.438 ± 0.001°
• γ: 91.537 ± 0.001°
• Cell volume: 1023.34 ± 0.13 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1746
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No