Information card for entry 7102713

Structure parameters

• Formula: C13 H6 Cr O5
• Calculated formula: C13 H6 Cr O5
• SMILES: [Cr]12345([c]67[cH]1[cH]2[cH]3[cH]4[c]56C(=O)C=CC7=O)(C#[O])(C#[O])C#[O]
• Title of publication: Desymmetrization of a meso-diol complex derived from [Cr(CO)3(eta6-5,8-naphthoquinone)]: use of new diamine acylation catalysts.
• Authors of publication: Kündig, E Peter; Lomberget, Thierry; Bragg, Ryan; Poulard, Cyril; Bernardinelli, Gérald
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 13
• Pages of publication: 1548 - 1549
• a: 7.118 ± 0.0008 Å
• b: 7.6777 ± 0.0009 Å
• c: 10.9461 ± 0.0014 Å
• α: 87.055 ± 0.015°
• β: 73.479 ± 0.014°
• γ: 86.175 ± 0.014°
• Cell volume: 571.9 ± 0.13 ų
• Cell temperature: 200 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 significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.55
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No