Information card for entry 1502222

Structure parameters

• Formula: C23 H27 I N2 O2
• Calculated formula: C23 H27 I N2 O2
• SMILES: [I-].O1[N+]([C@H]2C[C@@H]3N(C(=O)[C@](c4c3cccc4)(C)c3ccccc3)C[C@H]2C1)(C)C.[I-].O1[N+]([C@@H]2C[C@H]3N(C(=O)[C@@](c4c3cccc4)(C)c3ccccc3)C[C@@H]2C1)(C)C
• Title of publication: Multicomponent assembly and diversification of novel heterocyclic scaffolds derived from 2-arylpiperidines.
• Authors of publication: Hardy, Simon; Martin, Stephen F.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 3102 - 3105
• a: 16.431 ± 0.002 Å
• b: 9.5653 ± 0.0012 Å
• c: 14.1865 ± 0.0015 Å
• α: 90°
• β: 106.411 ± 0.008°
• γ: 90°
• Cell volume: 2138.8 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1255
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.337
• Diffraction radiation wavelength: 0.71074 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No