Information card for entry 4072067

Structure parameters

• Formula: C22 H28 Cr O6
• Calculated formula: C22 H28 Cr O6
• SMILES: [Cr](=C1C(=C(C(=C(O1)CCC)CCC)CCC)CCC)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Pyranylidene Carbene Complexes from 1-Lithio 1,3-Dienes and M(CO)6(M = Cr, Mo, W): Novel Synthesis and Demetalation Reaction
• Authors of publication: Wang, Qifeng; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 15
• Pages of publication: 3627
• a: 9.3239 ± 0.0019 Å
• b: 10.351 ± 0.002 Å
• c: 12.241 ± 0.002 Å
• α: 93.71 ± 0.03°
• β: 94.57 ± 0.03°
• γ: 90.07 ± 0.03°
• Cell volume: 1175.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0762
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No