Information card for entry 1553160

Structure parameters

• Formula: C34 H34 N2 O
• Calculated formula: C34 H34 N2 O
• SMILES: CN1[C@H]2[C@](C[C@H]1c1ccccc1)(c1ccccc1)[C@]1([C@H](N(C)[C@@H](C1)c1ccccc1)O2)c1ccccc1.CN1[C@@H]2[C@@](C[C@@H]1c1ccccc1)(c1ccccc1)[C@@]1([C@@H](N(C)[C@H](C1)c1ccccc1)O2)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: 11.9986 ± 0.0002 Å
• b: 10.6018 ± 0.00016 Å
• c: 20.9045 ± 0.0004 Å
• α: 90°
• β: 104.851 ± 0.0019°
• γ: 90°
• Cell volume: 2570.36 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0485
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No