Information card for entry 7110177

Structure parameters

• Chemical name: N-(4-bromobenzoyl)-2-methyl-4,4-diphenylpyrrolidine
• Formula: C24 H22 Br N O
• Calculated formula: C24 H22 Br N O
• SMILES: Brc1ccc(C(=O)N2CC(c3ccccc3)(C[C@H]2C)c2ccccc2)cc1
• Title of publication: A novel chiral yttrium complex with a tridentate linked amido-indenyl ligand for intramolecular hydroamination
• Authors of publication: Zhuo Chai; Dezhi Hua; Kui Li; Jiang Chu; Gaosheng Yang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 177
• a: 10.3286 ± 0.0012 Å
• b: 11.6063 ± 0.0013 Å
• c: 16.6657 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1997.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0808
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.835
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No