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Information card for entry 4502680
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Coordinates | 4502680.cif |
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Original paper (by DOI) | HTML |
Common name | 0.5 thf solvate of 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid |
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Chemical name | 0.5 thf solvate of 1:1 cocrystal of ethenzamide and 3,5-dinitrobenzoic acid |
Formula | C36 H38 N6 O17 |
Calculated formula | C36 H38 N6 O17 |
Title of publication | Polymorphs and Solvates of a Cocrystal Involving an Analgesic Drug, Ethenzamide, and 3,5-Dinitrobenzoic Acid |
Authors of publication | Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2010 |
Journal volume | 10 |
Journal issue | 5 |
Pages of publication | 2229 |
a | 7.6358 ± 0.0015 Å |
b | 8.3248 ± 0.0017 Å |
c | 15.291 ± 0.003 Å |
α | 99.5 ± 0.03° |
β | 91.41 ± 0.03° |
γ | 102.29 ± 0.03° |
Cell volume | 934.9 ± 0.4 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0604 |
Residual factor for significantly intense reflections | 0.0569 |
Weighted residual factors for significantly intense reflections | 0.1574 |
Weighted residual factors for all reflections included in the refinement | 0.1643 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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