Information card for entry 1505633

Structure parameters

• Formula: C17 H20 N2 O2
• Calculated formula: C17 H20 N2 O2
• SMILES: O=C(NC(C)C)[C@@H]1N2C(=O)CC=C[C@@H](c3c1cccc3)C2.O=C(NC(C)C)[C@H]1N2C(=O)CC=C[C@H](c3c1cccc3)C2
• Title of publication: Concise construction of novel bridged bicyclic lactams by sequenced Ugi/RCM/Heck reactions.
• Authors of publication: Ribelin, Timothy P.; Judd, Andrew S.; Akritopoulou-Zanze, Irini; Henry, Rodger F.; Cross, Jeffrey L.; Whittern, David N.; Djuric, Stevan W.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 24
• Pages of publication: 5119 - 5122
• a: 24.724 ± 0.004 Å
• b: 9.0148 ± 0.0014 Å
• c: 17.464 ± 0.003 Å
• α: 90°
• β: 129.305 ± 0.002°
• γ: 90°
• Cell volume: 3011.9 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No