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Information card for entry 4513138
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Coordinates | 4513138.cif |
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Original paper (by DOI) | HTML |
Common name | benperidol ethyl acetate solvate |
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Chemical name | 1-{1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl} -1,3-dihydro-2H-benzimidazol-2-one ethyl acetate solvate |
Formula | C24 H28 F N3 O3 |
Calculated formula | C24 H28 F N3 O3 |
Title of publication | Structural Characterization and Rationalization of Formation, Stability, and Transformations of Benperidol Solvates |
Authors of publication | Be̅rziņš, Agris; Skarbulis, Edgars; Actiņš, Andris |
Journal of publication | Crystal Growth & Design |
Year of publication | 2015 |
Journal volume | 15 |
Journal issue | 5 |
Pages of publication | 2337 |
a | 5.4228 ± 0.0003 Å |
b | 14.6014 ± 0.0008 Å |
c | 14.8045 ± 0.001 Å |
α | 109.936 ± 0.003° |
β | 90.199 ± 0.002° |
γ | 100.322 ± 0.003° |
Cell volume | 1081.5 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.113 |
Residual factor for significantly intense reflections | 0.0751 |
Weighted residual factors for significantly intense reflections | 0.1734 |
Weighted residual factors for all reflections included in the refinement | 0.1992 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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