Information card for entry 7218819

Structure parameters

• Formula: C23 H23 N O2
• Calculated formula: C23 H23 N O2
• SMILES: C12=C(CC(CC1=O)(C)C)N[C@@]1(C[C@H]2c2c(cccc2)O1)c1ccccc1.C12=C(CC(CC1=O)(C)C)N[C@]1(C[C@@H]2c2c(cccc2)O1)c1ccccc1
• Title of publication: Catalyst-free one-pot domino reactions for selective synthesis of functionalized 2,8-oxazabicyclo[3.3.1]nonanes and 5H-indeno[1,2-b]pyridin-5-ones
• Authors of publication: Rao, Yin; Liu, Meilin; Wu, Lu; Yin, Guo-Dong
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 33.52 ± 0.005 Å
• b: 7.2362 ± 0.001 Å
• c: 15.699 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3807.9 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No