Information card for entry 2227620

Structure parameters

• Common name: Tricarbonyl(A-η^6^-flavan)chromium(0)
• Chemical name: tricarbonyl(η^6^-2-phenyl-1-benzopyran)chromium(0)
• Formula: C18 H14 Cr O4
• Calculated formula: C18 H14 Cr O4
• SMILES: c1(C2CC[c]34[c]5([cH]6[cH]7[cH]8[cH]3[Cr]45678(C#[O])(C#[O])C#[O])O2)ccccc1
• Title of publication: Racemic tricarbonyl[(4a,5,6,7,8,8a-η)-2-phenyl-3,4-dihydro-2<i>H</i>-1-benzopyran]chromium(0)
• Authors of publication: van Tonder, Johannes H.; Bezuidenhoudt, Barend C. B.; Janse van Rensburg, J. Marthinus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1086
• a: 12.0275 ± 0.0002 Å
• b: 13.1454 ± 0.0002 Å
• c: 10.4473 ± 0.0002 Å
• α: 90°
• β: 111.717 ± 0.001°
• γ: 90°
• Cell volume: 1534.54 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0599
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes