Information card for entry 7116012

Structure parameters

• Formula: C18 H19 I N2
• Calculated formula: C18 H19 I N2
• SMILES: [I-].[N+]12=CN(C[C@@H]1Cc1ccccc21)[C@H](c1ccccc1)C
• Title of publication: Metal-free aminoamidiniumation employing N-iodosuccinimide: facile syntheses of bicyclic imidazolidiniums and cyclic vicinal diamines
• Authors of publication: Jun Zhang; Gengtao Zhang; Weijie Wu; Xuejun Zhang; Min Shi
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 15052
• a: 6.6862 ± 0.0013 Å
• b: 10.542 ± 0.002 Å
• c: 23.52 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1657.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0278
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No