Information card for entry 4117907

Structure parameters

• Formula: C24 H24 O4 Ru
• Calculated formula: C24 H24 O4 Ru
• SMILES: [c]12([cH]3[cH]4[c]5([cH]6[cH]1[Ru]123456(OC(=[O]1)c1ccccc1)OC(=O)c1ccccc1)C)C(C)C
• Title of publication: Highly Selective Intramolecular Carbene Insertion into Primary C-H Bond of α-Diazoacetamides Mediated by a (p-Cymene)ruthenium(II) Carboxylate Complex
• Authors of publication: Vanessa Kar-Yan Lo; Zhen Guo; Matthew Kwok-Wai Choi; Wing-Yiu Yu; Jie-Sheng Huang; Chi-Ming Che
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 7588 - 7591
• a: 9.955 ± 0.002 Å
• b: 10.647 ± 0.002 Å
• c: 11.809 ± 0.002 Å
• α: 99.44 ± 0.03°
• β: 102.31 ± 0.03°
• γ: 112.85 ± 0.03°
• Cell volume: 1083.7 ± 0.5 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 0.688
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No