Information card for entry 2229690

Structure parameters

• Chemical name: tricarbonyl[7-methoxy-2-(η^6^-phenyl)chromane]chromium(0)
• Formula: C19 H16 Cr O5
• Calculated formula: C19 H16 Cr O5
• SMILES: COc1ccc2CCC([c]34[cH]5[cH]6[cH]7[cH]8[cH]3[Cr]45678(C#[O])(C#[O])C#[O])Oc2c1
• Title of publication: Racemic tricarbonyl[7-methoxy-2-(η^6^-phenyl)chromane]chromium(0)
• Authors of publication: Gohain, Mukut; Muller, Theunis J.; Bezuidenhoudt, Barend C. B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m438 - m439
• a: 9.7703 ± 0.0005 Å
• b: 19.182 ± 0.0009 Å
• c: 8.8049 ± 0.0004 Å
• α: 90°
• β: 97.494 ± 0.002°
• γ: 90°
• Cell volume: 1636.07 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0409
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes