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Information card for entry 7243889
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| Coordinates | 7243889.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Lumifantrine-Fumaric Acid 2:1 salt |
|---|---|
| Chemical name | 2-(dibutylamino)-1-[(9Z)-2,7-dichloro-9-[(4-chlorophenyl)methylidene]-9H-fluoren-4-yl]ethan-1-ol - (2E)-but-2-enedioic acid |
| Formula | C32 H34 Cl3 N O3 |
| Calculated formula | C32 H34 Cl3 N O3 |
| Title of publication | The effects of cis and trans butenedioic acid on the physicochemical behavior of lumefantrine |
| Authors of publication | Tomar, Devendrasingh; Lodagekar, Anurag; Gunnam, Anilkumar; Allu, Suryanarayana; Chavan, Rahul B.; Tharkar, Minakshi; Ajithkumar, T. G.; Nangia, Ashwini K.; Shastri, Nalini R. |
| Journal of publication | CrystEngComm |
| Year of publication | 2022 |
| Journal volume | 24 |
| Journal issue | 1 |
| Pages of publication | 156 - 168 |
| a | 11.4556 ± 0.0003 Å |
| b | 26.8887 ± 0.0007 Å |
| c | 9.5696 ± 0.0003 Å |
| α | 90° |
| β | 91.164 ± 0.002° |
| γ | 90° |
| Cell volume | 2947.08 ± 0.14 Å3 |
| Cell temperature | 103 ± 5 K |
| Ambient diffraction temperature | 103 K |
| Number of distinct elements | 5 |
| 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 | 0.0692 |
| Residual factor for significantly intense reflections | 0.0554 |
| Weighted residual factors for significantly intense reflections | 0.1315 |
| Weighted residual factors for all reflections included in the refinement | 0.1389 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272601 (current) | 2022-02-04 | cif/ Updating files of 7243889 Original log message: Adding full bibliography for 7243889.cif. |
7243889.cif |
| 270550 | 2021-11-10 | cif/ Adding structures of 7243889 via cif-deposit CGI script. |
7243889.cif |
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structural data.