Information card for entry 4104552

Structure parameters

• Formula: C25 H40 Ag Br N2 O2
• Calculated formula: C25 H40 Ag Br N2 O2
• SMILES: [Ag](Br)=C1N2C(OC[C@@]32[C@@H](CC[C@H](C3)C)C(C)C)=C2N1[C@]1(CO2)[C@@H](CC[C@H](C1)C)C(C)C
• Title of publication: IBiox[(-)-menthyl]: A Sterically Demanding Chiral NHC Ligand
• Authors of publication: Sebastian Würtz; Claudia Lohre; Roland Fröhlich; Klaus Bergander; Frank Glorius
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8344 - 8345
• a: 10.6661 ± 0.0002 Å
• b: 12.9006 ± 0.0002 Å
• c: 18.6675 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2568.63 ± 0.08 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• 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: 0.079
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No