Information card for entry 1507497

Structure parameters

• Chemical name: chloroformyldimethylanimomethylenpentacarbonylchromium(0)
• Formula: C9 H6 Cl Cr N O6
• Calculated formula: C9 H6 Cl Cr N O6
• SMILES: [Cr](C#[O])(C#[O])(C#[O])(=C(N(C)C)C(=O)Cl)(C#[O])C#[O]
• Title of publication: First intermolecular cyclopropanation of Fischer dialkylaminocarbene complexes. Synthesis of 1-aminocyclopropanecarboxylic acid derivatives.
• Authors of publication: Barluenga, José; Aznar, Fernando; Gutiérrez, Ignacio; García-Granda, Santiago; Llorca-Baragaño, M Amparo
• Journal of publication: Organic letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 24
• Pages of publication: 4273 - 4276
• a: 9.289 ± 0.009 Å
• b: 11.89 ± 0.016 Å
• c: 12.035 ± 0.006 Å
• α: 90°
• β: 112.12 ± 0.09°
• γ: 90°
• Cell volume: 1231 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No