Information card for entry 7152174

Structure parameters

• Formula: C24 H31 N O
• Calculated formula: C24 H31 N O
• SMILES: c1ccccc1CN1[C@H]([C@H]2CCC[C@H]2[C@@H]1c1ccc(cc1)OC)C(C)C.c1ccccc1CN1[C@@H]([C@@H]2CCC[C@@H]2[C@H]1c1ccc(cc1)OC)C(C)C
• Title of publication: Lewis acid promoted intramolecular (3 + 2) 'cycloadditions' of methyleneaziridines with alkene and alkyne acceptors.
• Authors of publication: Griffin, Karen; Montagne, Cyril; Hoang, Cam Thuy; Clarkson, Guy J.; Shipman, Michael
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 5
• Pages of publication: 1032 - 1039
• a: 11.4815 ± 0.0014 Å
• b: 17.5731 ± 0.0015 Å
• c: 10.472 ± 0.001 Å
• α: 90°
• β: 105.993 ± 0.011°
• γ: 90°
• Cell volume: 2031.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0849
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.2304
• Weighted residual factors for all reflections included in the refinement: 0.2554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No