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Information card for entry 7120376
Preview
Coordinates | 7120376.cif |
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Original paper (by DOI) | HTML |
Chemical name | 6-acetyl-4,7-dimethyl-5-[3-(morpholin-4-yl)propoxycoumarin |
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Formula | C20 H25 N O5 |
Calculated formula | C20 H25 N O5 |
Title of publication | Development of selective agents targeting serotonin 5HT1A receptors with subnanomolar activities based on a coumarin core |
Authors of publication | Ostrowska, Kinga; Grzeszczuk, David; Głuch-Lutwin, Monika; Gryboś, Anna; Siwek, Agata; Dobrzycki, Lukasz; Trzaskowski, Bartosz |
Journal of publication | Med. Chem. Commun. |
Year of publication | 2017 |
a | 17.1277 ± 0.0016 Å |
b | 9.9821 ± 0.0009 Å |
c | 10.6929 ± 0.0009 Å |
α | 90° |
β | 96.349 ± 0.002° |
γ | 90° |
Cell volume | 1817 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0553 |
Residual factor for significantly intense reflections | 0.044 |
Weighted residual factors for significantly intense reflections | 0.1122 |
Weighted residual factors for all reflections included in the refinement | 0.1238 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
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/7120376.html
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