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Information card for entry 4132389
Preview
Coordinates | 4132389.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H13 N O4 |
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Calculated formula | C15 H13 N O4 |
SMILES | OC(=O)c1c(cccc1NCc1ccccc1)C(=O)O |
Title of publication | Main-Group-Catalyzed Reductive Alkylation of Multiply Substituted Amines with Aldehydes Using H<sub>2</sub>. |
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 | 7.711 ± 0.0005 Å |
b | 10.52 ± 0.0006 Å |
c | 10.5887 ± 0.0006 Å |
α | 64.76 ± 0.006° |
β | 79.688 ± 0.005° |
γ | 86.397 ± 0.005° |
Cell volume | 764.31 ± 0.09 Å3 |
Cell temperature | 128 K |
Ambient diffraction temperature | 128 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0711 |
Residual factor for significantly intense reflections | 0.066 |
Weighted residual factors for significantly intense reflections | 0.2731 |
Weighted residual factors for all reflections included in the refinement | 0.2814 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.2819 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4132389.html
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