Information card for entry 2227136

Structure parameters

• Common name: tricarbonyl(η^6^-7-methoxyflavan)chromium(0)
• Chemical name: tricarbonyl(η^6^-7-methoxy-2-phenyl-3,4-dihydro-2<i>H</i>- 1-benzopyran)chromium(0)
• Formula: C19 H16 Cr O5
• Calculated formula: C19 H16 Cr O5
• SMILES: c1(ccccc1)C1CC[c]23[cH]4[cH]5[c]6([cH]7[c]2(O1)[Cr]34567(C#[O])(C#[O])C#[O])OC
• Title of publication: Racemic tricarbonyl(η^6^-7-methoxyflavan)chromium(0)
• Authors of publication: Tonder, Johannes. H. van; 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: 8
• Pages of publication: m907 - m908
• a: 9.8422 ± 0.0002 Å
• b: 12.385 ± 0.0003 Å
• c: 15.0146 ± 0.0003 Å
• α: 90°
• β: 115.171 ± 0.001°
• γ: 90°
• Cell volume: 1656.42 ± 0.06 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 significantly intense reflections: 0.0296
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes