Information card for entry 1505323

Structure parameters

• Formula: C15 H17 N O3
• Calculated formula: C15 H17 N O3
• SMILES: O=C1N2CCC[C@]32OO[C@@]1([C@@H](C3)c1ccccc1)C.O=C1N2CCC[C@@]32OO[C@]1([C@H](C3)c1ccccc1)C
• Title of publication: Intramolecular azide trapping of the Nazarov intermediate: formation of peroxy-bridged indolizidinones via a deep-seated rearrangement and aerobic oxidation.
• Authors of publication: Rostami, Ali; Wang, Yong; Arif, Atta M.; McDonald, Robert; West, F. G.
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 4
• Pages of publication: 703 - 706
• a: 12.7723 ± 0.0005 Å
• b: 7.1792 ± 0.0002 Å
• c: 14.2615 ± 0.0007 Å
• α: 90°
• β: 105.767 ± 0.0018°
• γ: 90°
• Cell volume: 1258.5 ± 0.09 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No