Information card for entry 2011048

Structure parameters

• Formula: C18 H14 Cr O4
• Calculated formula: C18 H14 Cr O4
• SMILES: [Cr](C#[O])(C#[O])(C#[O])([cH]12)([cH]13)([cH]21)([cH]12)([c]214)[c]13ccc2c4C=CC(O2)(C)C
• Title of publication: Tricarbonyl[(6a,7,8,9,10a-η)-3,3-dimethyl-3<i>H</i>-benzo[<i>f</i>]chromene]chromium
• Authors of publication: Pèpe, Gérard; Hannesschlager, Patrick; Brun, Pierre
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: e251 - e252
• a: 12.19 ± 0.002 Å
• b: 9.147 ± 0.002 Å
• c: 14.612 ± 0.003 Å
• α: 90°
• β: 104.2 ± 0.02°
• γ: 90°
• Cell volume: 1579.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.036
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for all reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections: 0.979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No