Information card for entry 4116227

Structure parameters

• Formula: C23 H28 N2 O2
• Calculated formula: C23 H28 N2 O2
• SMILES: O=C(N1[C@@H](C)CCCC[C@@H]1CC(=O)NCc1ccccc1)c1ccccc1.O=C(N1[C@H](C)CCCC[C@H]1CC(=O)NCc1ccccc1)c1ccccc1
• Title of publication: Stereoselective Construction of trans-Disubstituted Azabicycles Using Oxauracil as a Novel Free Radical Acceptor
• Authors of publication: P. Andrew Evans; Thara Manangan; Arnold L. Rheingold
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 11009 - 11010
• a: 10 ± 0.0006 Å
• b: 10.5047 ± 0.0006 Å
• c: 11.5559 ± 0.0006 Å
• α: 68.821 ± 0.001°
• β: 86.902 ± 0.001°
• γ: 65.525 ± 0.001°
• Cell volume: 1023.65 ± 0.1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0851
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections: 0.2071
• Weighted residual factors for significantly intense reflections: 0.1897
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No