Information card for entry 4127278

Structure parameters

• Formula: C19 H26 N2 O2
• Calculated formula: C19 H26 N2 O2
• SMILES: O=C(OC(C)(C)C)N1CC2(N(CCC2=C)Cc2ccccc2)C1
• Title of publication: Streamlined Synthesis of C(sp³)-Rich N-Heterospirocycles Enabled by Visible-Light-Mediated Photocatalysis.
• Authors of publication: Flodén, Nils J; Trowbridge, Aaron; Willcox, Darren; Walton, Scarlett M.; Kim, Yongjoon; Gaunt, Matthew J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 21
• Pages of publication: 8426 - 8430
• a: 16.556 ± 0.003 Å
• b: 5.9897 ± 0.0011 Å
• c: 17.839 ± 0.002 Å
• α: 90°
• β: 92.033 ± 0.011°
• γ: 90°
• Cell volume: 1767.9 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1315
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.1728
• Weighted residual factors for all reflections included in the refinement: 0.2021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No