Information card for entry 1553155

Structure parameters

• Formula: C19 H21 N O3
• Calculated formula: C19 H21 N O3
• SMILES: C(c1ccc(cc1)OC)N1C(=O)[C@](C[C@H]1c1ccccc1)(C)O.C(c1ccc(cc1)OC)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: 6.98428 ± 0.00014 Å
• b: 15.3845 ± 0.0004 Å
• c: 16.6168 ± 0.0004 Å
• α: 110.497 ± 0.002°
• β: 97.0023 ± 0.0018°
• γ: 102.274 ± 0.0019°
• Cell volume: 1596.16 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0571
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.271
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No