Information card for entry 1505635

Structure parameters

• Formula: C16 H18 N2 O2
• Calculated formula: C16 H18 N2 O2
• SMILES: O=C(NC(C)C)[C@@H]1N2C(=O)C=C[C@@H](c3c1cccc3)C2.O=C(NC(C)C)[C@H]1N2C(=O)C=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: 8.479 ± 0.019 Å
• b: 22.03 ± 0.05 Å
• c: 8.403 ± 0.019 Å
• α: 90°
• β: 116.06 ± 0.04°
• γ: 90°
• Cell volume: 1410 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.225
• Weighted residual factors for all reflections included in the refinement: 0.2365
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No