Information card for entry 4132388

Structure parameters

• Formula: C16 H11 N O5
• Calculated formula: C16 H11 N O5
• SMILES: O=C1OC(=O)c2c(NCc3c(cccc3)C(=O)O)cccc12
• Title of publication: Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H₂.
• Authors of publication: Hoshimoto, Yoichi; Kinoshita, Takuya; Hazra, Sunit; Ohashi, Masato; Ogoshi, Sensuke
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 23
• Pages of publication: 7292 - 7300
• a: 13.6723 ± 0.00017 Å
• b: 7.88868 ± 0.00008 Å
• c: 24.841 ± 0.0003 Å
• α: 90°
• β: 90.7992 ± 0.001°
• γ: 90°
• Cell volume: 2679 ± 0.05 ų
• Cell temperature: 213 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No