Information card for entry 1514257

Structure parameters

• Formula: C29 H23 F N2 O2
• Calculated formula: C29 H23 F N2 O2
• SMILES: N(=O)(=O)c1ccc(cc1)CC(c1ccc(F)cc1)(C#N)C(c1ccccc1)(c1ccccc1)C
• Title of publication: Exploring the anionic reactivity of ynimines, useful precursors of metalated ketenimines.
• Authors of publication: Laouiti, Anouar; Couty, François; Marrot, Jérome; Boubaker, Taoufik; Rammah, Mohamed M; Rammah, Mohamed B; Evano, Gwilherm
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 8
• Pages of publication: 2252 - 2255
• a: 12.6816 ± 0.0004 Å
• b: 13.5032 ± 0.0005 Å
• c: 13.3486 ± 0.0005 Å
• α: 90°
• β: 96.061 ± 0.002°
• γ: 90°
• Cell volume: 2273.07 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.072
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No