Information card for entry 1553153

Structure parameters

• Formula: C19 H21 N O2
• Calculated formula: C19 H21 N O2
• SMILES: C(c1c(cccc1)C)N1C(=O)[C@](C[C@@H]1c1ccccc1)(C)O.C(c1c(cccc1)C)N1C(=O)[C@@](C[C@H]1c1ccccc1)(C)O
• 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: 12.4972 ± 0.0002 Å
• b: 14.1613 ± 0.0002 Å
• c: 17.5538 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3106.61 ± 0.08 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No