Information card for entry 1505264

Structure parameters

• Formula: C15 H20 Cl2 Ir N O
• Calculated formula: C15 H19 Cl2 Ir N O
• SMILES: [Ir]1234(Cl)(Cl)([n]5ccccc5O)[c]5([c]4([c]3([c]2([c]15C)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: 7.251 ± 0.0004 Å
• b: 8.4985 ± 0.0005 Å
• c: 14.7866 ± 0.0009 Å
• α: 96.0595 ± 0.0017°
• β: 106.766 ± 0.0015°
• γ: 109.7 ± 0.0014°
• Cell volume: 800.33 ± 0.08 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No