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Information card for entry 7248120
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Coordinates | 7248120.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H28 N2 O2 |
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Calculated formula | C17 H27 N2 O2 |
Title of publication | Crystal structure, quantum chemical insights, and molecular docking studies of Naryl-2-(N-disubstituted) acetamide compounds: potential inhibitors for neurodegenerative enzymes |
Authors of publication | Camargo-Ayala, Lorena; Bedoya, Mauricio; Prent-Peñaloza, Luis; Polo-Cuadrado, Efraín; Osorio, Edison; Brito, Iván; Delgado, Gerzon E.; González, Wendy; Gutierrez, Margarita |
Journal of publication | RSC Advances |
Year of publication | 2024 |
Journal volume | 14 |
Journal issue | 8 |
Pages of publication | 5222 - 5233 |
a | 15.9867 ± 0.0009 Å |
b | 5.3642 ± 0.0003 Å |
c | 21.1924 ± 0.0011 Å |
α | 90° |
β | 103.788 ± 0.002° |
γ | 90° |
Cell volume | 1765 ± 0.17 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.172 |
Residual factor for significantly intense reflections | 0.0843 |
Weighted residual factors for significantly intense reflections | 0.2074 |
Weighted residual factors for all reflections included in the refinement | 0.2756 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7248120.html
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Users of the data should acknowledge the original authors of the
structural data.