Information card for entry 4024921

Structure parameters

• Formula: C18 H18 N2 O4
• Calculated formula: C18 H18 N2 O4
• SMILES: O=C1N(C)C(=O)[C@H]2[C@@H]1CC=C(c1ccccc1)[C@H]2N1CCOC1=O.O=C1N(C)C(=O)[C@@H]2[C@H]1CC=C(c1ccccc1)[C@@H]2N1CCOC1=O
• Title of publication: Preparation of Multisubstituted Enamides via Rhodium-Catalyzed Carbozincation and Hydrozincation of Ynamides
• Authors of publication: Benoit Gourdet; Mairi E. Rudkin; Ciorsdaidh A. Watts; Hon Wai Lam
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2009
• Journal volume: 74
• Pages of publication: 7849 - 7858
• a: 11.5859 ± 0.0008 Å
• b: 8.2975 ± 0.0005 Å
• c: 33.119 ± 0.002 Å
• α: 90°
• β: 99.063 ± 0.004°
• γ: 90°
• Cell volume: 3144.1 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections: 0.1569
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No