Information card for entry 1503578

Structure parameters

• Formula: C23 H25 N
• Calculated formula: C23 H25 N
• SMILES: c1ccccc1C(=N\C#CC1CCCCC1)\c1c(c(ccc1)C)C
• Title of publication: Copper-catalyzed oxidative alkynylation of diaryl imines with terminal alkynes: a facile synthesis of ynimines.
• Authors of publication: Laouiti, Anouar; Rammah, Mohamed M.; Rammah, Mohamed B.; Marrot, Jérome; Couty, François; Evano, Gwilherm
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 6 - 9
• a: 10.8194 ± 0.0009 Å
• b: 8.4261 ± 0.0007 Å
• c: 20.2679 ± 0.0017 Å
• α: 90°
• β: 97.113 ± 0.005°
• γ: 90°
• Cell volume: 1833.5 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0989
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1429
• Weighted residual factors for all reflections included in the refinement: 0.1696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No