Information card for entry 7021276

Structure parameters

• Formula: C15 H11 Cr N O3
• Calculated formula: C15 H11 Cr N O3
• SMILES: [Cr]12345([c]6([c]1([cH]2[cH]3[cH]4[cH]56)C)c1ncccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Stoichiometric C-H arylation of tricarbonyl(arene)chromium complexes bearing pyridine directing groups.
• Authors of publication: Fuchter, Matthew J.; Judge, Dilraj K.; Weimar, Marko; White, Andrew J. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5615 - 5618
• a: 7.62537 ± 0.00016 Å
• b: 12.3834 ± 0.0002 Å
• c: 27.589 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2605.17 ± 0.08 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.257
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No