Information card for entry 1505631

Structure parameters

• Formula: C18 H19 N3 O2
• Calculated formula: C18 H19 N3 O2
• SMILES: O=C1N2C[C@@H](c3c4c(c[nH]c4ccc3)[C@H]2C(=O)NC(C)C)C=C1.O=C1N2C[C@H](c3c4c(c[nH]c4ccc3)[C@@H]2C(=O)NC(C)C)C=C1
• 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: 14.023 ± 0.003 Å
• b: 13.658 ± 0.003 Å
• c: 17.593 ± 0.005 Å
• α: 90°
• β: 113.469 ± 0.003°
• γ: 90°
• Cell volume: 3090.8 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0698
• Weighted residual factors for significantly intense reflections: 0.192
• Weighted residual factors for all reflections included in the refinement: 0.1995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No