Information card for entry 4067433

Structure parameters

• Formula: C15 H12 Cr O9
• Calculated formula: C15 H12 Cr O9
• SMILES: [Cr](=C1OC(=CC=C1C(=O)OCC)OCC)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Multicomponent Synthesis of Pyran-2-ylidene Chromium(0) and Tungsten(0) Fischer Carbene Complexes
• Authors of publication: Baeza, Beatriz; Casarrubios, Luis; Gómez-Gallego, Mar; Sierra, Miguel A.; Oliván, Montserrat
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 7
• Pages of publication: 1607
• a: 9.486 ± 0.003 Å
• b: 9.511 ± 0.003 Å
• c: 10.054 ± 0.003 Å
• α: 100.853 ± 0.006°
• β: 113.551 ± 0.005°
• γ: 94.245 ± 0.006°
• Cell volume: 805.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0923
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1286
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No