Information card for entry 1505267

Structure parameters

• Formula: C15 H19 Cl Ir N O
• Calculated formula: C15 H19 Cl Ir N O
• SMILES: [Ir]12345(Cl)(Oc6[n]1cccc6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: Ligand-promoted dehydrogenation of alcohols catalyzed by Cp*Ir complexes. A new catalytic system for oxidant-free oxidation of alcohols.
• Authors of publication: Fujita, Ken-ichi; Tanino, Nobuhide; Yamaguchi, Ryohei
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 109 - 111
• a: 7.848 ± 0.0002 Å
• b: 12.7189 ± 0.0003 Å
• c: 15.2177 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1519 ± 0.07 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for all reflections included in the refinement: 0.0374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No