Information card for entry 7111320

Structure parameters

• Formula: C21 H23 Cr N O6
• Calculated formula: C21 H23 Cr N O6
• SMILES: [Cr]12345([c]6([cH]5[cH]4[cH]3[cH]2[c]16C(N(O)Cc1ccccc1)C(O)(C)C)OC)(C#[O])(C#[O])C#[O]
• Title of publication: First asymmetric SmI2-induced cross-coupling of Cr(CO)3 aromatic nitrone complexes with carbonyl compounds
• Authors of publication: Chavarot, Murielle; Rivard, Micha�l; Rose-Munch, Fran�oise; Rose, Eric; Py, Sandrine
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 20
• Pages of publication: 2330 - 2331
• a: 9.2513 ± 0.0018 Å
• b: 9.7274 ± 0.0012 Å
• c: 13.164 ± 0.003 Å
• α: 110.72 ± 0.013°
• β: 101.703 ± 0.019°
• γ: 100.932 ± 0.011°
• Cell volume: 1039.9 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No