Information card for entry 7117584

Structure parameters

• Formula: C18 H24 N2 O2
• Calculated formula: C18 H24 N2 O2
• SMILES: N1(C[C@H]2[C@]3(CC1)N(C(=O)[C@@H]([C@@H]3CC2)O)C)Cc1ccccc1.N1(C[C@@H]2[C@@]3(CC1)N(C(=O)[C@H]([C@H]3CC2)O)C)Cc1ccccc1
• Title of publication: Facile access to a heterocyclic, sp(3)-rich chemical scaffold via a tandem condensation/intramolecular nitrone-alkene [3+2] cycloaddition strategy.
• Authors of publication: Rawling, M. J.; Storr, T. E.; Bawazir, W. A.; Cully, S. J.; Lewis, W.; Makki, M. S. I. T.; Strutt, I. R.; Jones, G.; Hamza, D.; Stockman, R. A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 64
• Pages of publication: 12867 - 12870
• a: 8.0233 ± 0.0008 Å
• b: 8.5269 ± 0.0006 Å
• c: 12.1531 ± 0.0009 Å
• α: 107.964 ± 0.007°
• β: 98.204 ± 0.008°
• γ: 97.133 ± 0.007°
• Cell volume: 770.22 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2434
• Weighted residual factors for all reflections included in the refinement: 0.2499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No