Information card for entry 2007022

Structure parameters

• Formula: C23 H16 Cr O4
• Calculated formula: C23 H16 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)C
• Title of publication: Tricarbonyl[(4a,5,6,7,8,9-η)-2-methyl-2-phenyl-2<i>H</i>-benzo[<i>f</i>]chromen]chromium
• Authors of publication: Hannesschlager, Patrick; Brun, Pierre; Pèpe, Gérard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 221 - 223
• a: 13.832 ± 0.003 Å
• b: 9.055 ± 0.002 Å
• c: 16.005 ± 0.003 Å
• α: 90°
• β: 104.52 ± 0.02°
• γ: 90°
• Cell volume: 1940.6 ± 0.7 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.0847
• Goodness-of-fit parameter for all reflections: 0.955
• Goodness-of-fit parameter for significantly intense reflections: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No