Information card for entry 7009590

Structure parameters

• Formula: C15 H18 Cr O5
• Calculated formula: C15 H18 Cr O5
• SMILES: [Cr]12345([c]6([c]1([c]2(C)[c]4(CO)[c]5([c]36C)C)C)CO)(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis and structures of chromium tricarbonyl complexes of benzylic halides and benzylic alcohols †
• Authors of publication: Christofi, A. Maria; Garratt, Peter J.; Hogarth, Graeme; Steed, Jonathan W.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 13
• Pages of publication: 2137
• a: 8.727 ± 0.0007 Å
• b: 11.9245 ± 0.0011 Å
• c: 14.714 ± 0.001 Å
• α: 69.767 ± 0.005°
• β: 82.21 ± 0.006°
• γ: 84.463 ± 0.005°
• Cell volume: 1421.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No