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Information card for entry 7248122
Preview
Coordinates | 7248122.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H26 N2 O |
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Calculated formula | C16 H26 N2 O |
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 | 14.1335 ± 0.0011 Å |
b | 10.5456 ± 0.0007 Å |
c | 22.1248 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3297.6 ± 0.4 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1708 |
Residual factor for significantly intense reflections | 0.0673 |
Weighted residual factors for significantly intense reflections | 0.1301 |
Weighted residual factors for all reflections included in the refinement | 0.1565 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.856 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7248122.html
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Users of the data should acknowledge the original authors of the
structural data.