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Information card for entry 7131372
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Coordinates | 7131372.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H30 F N3 O6 |
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Calculated formula | C29 H30 F N3 O6 |
Title of publication | Binary to ternary drug-drug molecular adducts of the antihypertensive drug ketanserin (KTS) with advanced physicochemical properties. |
Authors of publication | Rout, Smruti Rekha; Kenguva, Gowtham; Giri, Lopamudra; Kar, Ananya; Dandela, Rambabu |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2023 |
Journal volume | 59 |
Journal issue | 31 |
Pages of publication | 4640 - 4643 |
a | 6.37 ± 0.001 Å |
b | 30.874 ± 0.001 Å |
c | 13.252 ± 0.001 Å |
α | 90° |
β | 97.03 ± 0.01° |
γ | 90° |
Cell volume | 2586.6 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0387 |
Residual factor for significantly intense reflections | 0.0353 |
Weighted residual factors for significantly intense reflections | 0.0869 |
Weighted residual factors for all reflections included in the refinement | 0.0891 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
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/7131372.html
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structural data.