Information card for entry 4024922

Structure parameters

• Formula: C20 H21 N O3
• Calculated formula: C20 H21 N O3
• SMILES: O=C1OCCN1[C@H]1c2ccccc2CC[C@@H]1c1ccc(cc1)OC.O=C1OCCN1[C@@H]1c2ccccc2CC[C@H]1c1ccc(cc1)OC
• 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: 9.6153 ± 0.0004 Å
• b: 9.6328 ± 0.0004 Å
• c: 10.123 ± 0.0004 Å
• α: 89.578 ± 0.002°
• β: 67.59 ± 0.002°
• γ: 69.602 ± 0.002°
• Cell volume: 803.88 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No