Information card for entry 2008141

Structure parameters

• Formula: C28 H18 Cr O4
• Calculated formula: C28 H18 Cr O4
• SMILES: [Cr](C#[O])(C#[O])(C#[O])([cH]12)([cH]13)([cH]21)([cH]12)([c]214)[c]13ccc(c14)OC(C=C1)(c1ccccc1)c1ccccc1
• Title of publication: Tricarbonyl[(6a,7,8,9,10,10a-η)-3,3-diphenyl-3<i>H</i>-benzo[<i>f</i>]chromene]chromium
• Authors of publication: Hannesschlager, Patrick; Brun, Pierre; Pèpe, Gérard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 200 - 202
• a: 8.038 ± 0.002 Å
• b: 20.482 ± 0.004 Å
• c: 13.677 ± 0.003 Å
• α: 90°
• β: 91.76 ± 0.02°
• γ: 90°
• Cell volume: 2250.6 ± 0.9 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/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.0773
• Goodness-of-fit parameter for all reflections: 0.808
• Goodness-of-fit parameter for significantly intense reflections: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No