Information card for entry 7102997

Structure parameters

• Formula: C16 H15 N O2
• Calculated formula: C16 H15 N O2
• SMILES: O=C1N(\C=C2/C(=C)CCCC2)C(=O)c2c1cccc2
• Title of publication: Cobalt-mediated regio- and stereoselective assembly of dienamides by hydroaminative alkyne coupling of alpha,omega-diynes.
• Authors of publication: Gandon, Vincent; Aubert, Corinne; Malacria, Max; Vollhardt, K Peter C
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 13
• Pages of publication: 1599 - 1601
• a: 7.848 ± 0.001 Å
• b: 8.298 ± 0.001 Å
• c: 10.572 ± 0.002 Å
• α: 79.27 ± 0.002°
• β: 81.141 ± 0.002°
• γ: 82.075 ± 0.002°
• Cell volume: 664.1 ± 0.2 ų
• Cell temperature: 177.2 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: 0.064
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.651
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No