Information card for entry 1503579

Structure parameters

• Formula: C43 H32 F2 N2
• Calculated formula: C43 H32 F2 N2
• SMILES: Fc1ccc(cc1)C(=C(c1ccccc1)c1ccccc1)\C(NC(c1ccccc1)(c1ccccc1)C)=C(C#N)\c1ccc(F)cc1
• 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: 10.1859 ± 0.0008 Å
• b: 19.9122 ± 0.0019 Å
• c: 16.1404 ± 0.0015 Å
• α: 90°
• β: 94.415 ± 0.004°
• γ: 90°
• Cell volume: 3263.9 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.1028
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No