Information card for entry 2226869

Structure parameters

• Chemical name: [(1<i>R</i>,4<i>S</i>)-(+)-3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan- 2-olato-κ^2^<i>O</i>^2^,<i>O</i>^3^](η^4^-norbornadiene)rhodium(I)
• Formula: C24 H27 O2 Rh
• Calculated formula: C24 H27 O2 Rh
• SMILES: [Rh]1234(OC5=C([C@H]6CC[C@@]5(C6(C)C)C)C(=[O]1)c1ccccc1)[CH]1=[CH]2C2[CH]3=[CH]4C1C2
• Title of publication: [(1<i>R</i>,4<i>S</i>)-(+)-3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-olato-κ^2^<i>O</i>^2^,<i>O</i>^3^](η^4^-norbornadiene)rhodium(I)
• Authors of publication: Harrad, Mohamed Anoir; Boualy, Brahim; Ali, Mustapha Ait; Firdoussi, Larbi El; Rizzoli, Corrado
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: m915 - m916
• a: 6.4755 ± 0.0011 Å
• b: 8.2817 ± 0.0013 Å
• c: 38.32 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2055 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0743
• Goodness-of-fit parameter for all reflections included in the refinement: 1.271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes