Information card for entry 4077069

Structure parameters

• Formula: C17 H21 O3 Rh
• Calculated formula: C17 H21 O3 Rh
• SMILES: [Rh]1234567([c]8([cH]1[cH]2[cH]3[cH]48)C(=O)O[C@@H]([C@H](C)O)C)[CH]1=[CH]5C2CC1[CH]6=[CH]72.[Rh]1234567([c]8([cH]1[cH]2[cH]3[cH]48)C(=O)O[C@H]([C@@H](C)O)C)[CH]1=[CH]5C2CC1[CH]6=[CH]72
• Title of publication: Coordination Chemistry of Ester-Functionalized Cp Ligands. A Versatile Approach to the Chiral Hydroxyalkoxycarbonylcyclopentadienide [C5H4CO2(CHMe)2OH]-. Synthesis, Structure, and Catalytic Activity of Rhodium(I) and Iron(II) Complexes
• Authors of publication: Busetto, Luigi; Cassani, M. Cristina; Mazzoni, Rita; Albano, Vincenzo G.; Sabatino, Piera; Frediani, Piero; Rivalta, Eleonora
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 23
• Pages of publication: 4993
• a: 15.2991 ± 0.0008 Å
• b: 5.884 ± 0.0003 Å
• c: 17.8028 ± 0.001 Å
• α: 90°
• β: 102.122 ± 0.001°
• γ: 90°
• Cell volume: 1566.87 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1421
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No