Information card for entry 4114059

Structure parameters

• Formula: C25 H20 Cr N O4 P
• Calculated formula: C25 H20 Cr N O4 P
• SMILES: [Cr]1([P](c2c(C[N]1=CC)cccc2)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Light-Induced Aminocarbene to Imine Dyotropic Rearrangement in a Chromium(0) Center: An Unprecedented Reaction Pathway
• Authors of publication: Miguel A. Sierra; Israel Fernández; María J. Mancheño; Mar Gómez-Gallego; M. Rosario Torres; Fernando P. Cossío; Ana Arrieta; Begoña Lecea; Ana Poveda; Jesús Jiménez-Barbero
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 9572 - 9573
• a: 19.1227 ± 0.0017 Å
• b: 13.7054 ± 0.0012 Å
• c: 18.6492 ± 0.0017 Å
• α: 90°
• β: 105.57 ± 0.002°
• γ: 90°
• Cell volume: 4708.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.139
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2379
• Weighted residual factors for all reflections included in the refinement: 0.2703
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No