Information card for entry 7102999

Structure parameters

• Formula: C25.5 H25 N O
• Calculated formula: C25.5 H25 N O
• SMILES: O=C1N(/C(=C2\C(=C)CCCC2)c2ccccc2)c2c(C1)cccc2.c1(ccccc1)C
• 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: 9.437 ± 0.002 Å
• b: 9.472 ± 0.002 Å
• c: 25.437 ± 0.006 Å
• α: 81.578 ± 0.003°
• β: 84.642 ± 0.003°
• γ: 62.402 ± 0.003°
• Cell volume: 1992.6 ± 0.7 ų
• Cell temperature: 154.2 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: 0.1014
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.507
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No