Information card for entry 4127277

Structure parameters

• Formula: C15 H17 F2 N O
• Calculated formula: C15 H17 F2 N O
• SMILES: FC1(F)C2(C3(N(CC2)Cc2ccccc2)COC3)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: 5.7759 ± 0.0002 Å
• b: 10.3846 ± 0.0004 Å
• c: 11.5759 ± 0.0004 Å
• α: 76.493 ± 0.002°
• β: 89.622 ± 0.003°
• γ: 78.571 ± 0.002°
• Cell volume: 661.16 ± 0.04 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No