Information card for entry 1505632

Structure parameters

• Formula: C17 H20 N2 O2
• Calculated formula: C17 H20 N2 O2
• SMILES: O=C1N2C[C@H](C=C1)c1ccccc1C[C@H]2C(=O)NC(C)C.O=C1N2C[C@@H](C=C1)c1ccccc1C[C@@H]2C(=O)NC(C)C
• 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: 18.61 ± 0.004 Å
• b: 7.6918 ± 0.0018 Å
• c: 20.026 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2866.6 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1717
• Weighted residual factors for all reflections included in the refinement: 0.1874
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No