Information card for entry 7714352

Structure parameters

• Formula: C27 H45 O Rh
• Calculated formula: C27 H45 O Rh
• SMILES: [Rh]1234567([c]8([c]4([cH]3[c]2([cH]18)C(C)(C)C)C(C)(C)C)[C@@H](OC)C(C)(C)C)[CH]1=[CH]5CC[CH]6=[CH]7CC1
• Title of publication: Rhodium complexes with planar-chiral cyclopentadienyl ligands: synthesis from tert-butylacetylene and catalytic performance in C-H activation of arylhydroxamates
• Authors of publication: Kolos, Andrey; Nelyubina, Yulia V.; Podyacheva, Evgeniya; Perekalin, Dmitry S.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.922 ± 0.006 Å
• b: 15.46 ± 0.01 Å
• c: 16.46 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2525 ± 3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.1233
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1307
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No