Information card for entry 4302632

Structure parameters

• Common name: 08229a
• Formula: C24 H28 Cu F6 N3 O
• Calculated formula: C24 H28 Cu F6 N3 O
• SMILES: [Cu]1(N(C(=CC(=[N]1c1c(cccc1C)C)C(F)(F)F)C(F)(F)F)c1c(cccc1C)C)[O]=N(C)(C)C
• Title of publication: Intermediates in Reactions of Copper(I) Complexes with N-Oxides: From the Formation of Stable Adducts to Oxo Transfer
• Authors of publication: Sungjun Hong; Aalo K. Gupta; William B. Tolman
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 6323 - 6325
• a: 12.2913 ± 0.0016 Å
• b: 13.9744 ± 0.0018 Å
• c: 15.579 ± 0.002 Å
• α: 90°
• β: 107.408 ± 0.002°
• γ: 90°
• Cell volume: 2553.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0499
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No