Information card for entry 1553151

Structure parameters

• Formula: C18 H19 N O2
• Calculated formula: C18 H19 N O2
• SMILES: C(N1C(=O)[C@@](C[C@H]1c1ccccc1)(C)O)c1ccccc1.C(N1C(=O)[C@](C[C@@H]1c1ccccc1)(C)O)c1ccccc1
• Title of publication: γ-Lactams and furan bispyrrolidines via iodine mediated cyclisation of homoallylamines
• Authors of publication: Hama Salih, Mariwan A.; Male, Louise; Spencer, Neil; Fossey, John S.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 1445
• a: 20.293 ± 0.0002 Å
• b: 6.84225 ± 0.00008 Å
• c: 22.5979 ± 0.0002 Å
• α: 90°
• β: 90.8593 ± 0.0009°
• γ: 90°
• Cell volume: 3137.36 ± 0.06 ų
• Cell temperature: 99.94 ± 0.17 K
• Ambient diffraction temperature: 99.94 ± 0.17 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.301
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No