Information card for entry 1553459

Structure parameters

• Common name: 3ak in manuscript
• Formula: C14 H10 F12 N2
• Calculated formula: C14 H10 F12 N2
• SMILES: C(=N\N(C)C)(/C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)C(F)(F)F
• Title of publication: A general photoinduced electron transfer-directed chemoselective perfluoroalkylation of N,N-dialkylhydrazones
• Authors of publication: Xie, Jin; Li, Jian; Wurm, Thomas; Weingand, Vanessa; Sung, Hui-Ling; Rominger, Frank; Rudolph, Matthias; Hashmi, A. Stephen K.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 7
• Pages of publication: 841
• a: 10.0639 ± 0.0019 Å
• b: 8.163 ± 0.0016 Å
• c: 20.469 ± 0.004 Å
• α: 90°
• β: 101.995 ± 0.003°
• γ: 90°
• Cell volume: 1644.8 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.125
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No