Information card for entry 7110179

Structure parameters

• Chemical name: N-(4-bromobenzoyl)-2,4,4-trimethylpyrrolidine
• Formula: C14 H18 Br N O
• Calculated formula: C14 H18 Br N O
• SMILES: Brc1ccc(C(=O)N2CC(C[C@H]2C)(C)C)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: 7.487 ± 0.0011 Å
• b: 9.5208 ± 0.0014 Å
• c: 19.774 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1409.5 ± 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: 0.051
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 0.815
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No