Information card for entry 7157158

Structure parameters

• Formula: C25 H28 N2 O3
• Calculated formula: C25 H28 N2 O3
• Title of publication: A gold-triggered dearomative spirocarbocyclization/Diels-Alder reaction cascade towards diverse bridged N-heterocycles.
• Authors of publication: He, Yi; Narmon, Thomas; Wu, Danjun; Li, Zhenghua; Van Meervelt, Luc; Van der Eycken, Erik V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 43
• Pages of publication: 9529
• a: 13.4238 ± 0.0005 Å
• b: 10.0908 ± 0.0003 Å
• c: 16.9778 ± 0.0007 Å
• α: 90°
• β: 96.486 ± 0.004°
• γ: 90°
• Cell volume: 2285.04 ± 0.15 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.1975
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No