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Information card for entry 7159707
Preview
| Coordinates | 7159707.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 3-(2-bromophenyl)-1-cyclohexyl-4-(1H-indol-2-yl)-1H-pyrrole-2,5-dione |
|---|---|
| Formula | C24 H21 Br N2 O2 |
| Calculated formula | C24 H21 Br N2 O2 |
| SMILES | Brc1c(C2=C(c3[nH]c4c(c3)cccc4)C(=O)N(C2=O)C2CCCCC2)cccc1 |
| Title of publication | Two distinct protocols for the synthesis of unsymmetrical 3,4-disubstituted maleimides based on transition-metal catalysts. |
| Authors of publication | Bandehali-Naeini, Farzaneh; Tanbakouchian, Zahra; Farajinia-Lehi, Noushin; Mayer, Nicolas; Shiri, Morteza; Breugst, Martin |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 2 |
| Pages of publication | 380 - 387 |
| a | 12.1123 ± 0.0007 Å |
| b | 13.4106 ± 0.0009 Å |
| c | 15.0272 ± 0.0007 Å |
| α | 90.102 ± 0.005° |
| β | 111.664 ± 0.005° |
| γ | 113.639 ± 0.006° |
| Cell volume | 2045.7 ± 0.3 Å3 |
| Cell temperature | 153 ± 70 K |
| Ambient diffraction temperature | 153 ± 70 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 | 0.0941 |
| Residual factor for significantly intense reflections | 0.0752 |
| Weighted residual factors for significantly intense reflections | 0.2439 |
| Weighted residual factors for all reflections included in the refinement | 0.283 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.205 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298328 (current) | 2025-03-07 | cif/7: Fixing Z values and formulae |
7159707.cif |
| 289630 | 2024-02-04 | cif/ Updating files of 7159707 Original log message: Adding full bibliography for 7159707.cif. |
7159707.cif |
| 288065 | 2023-12-06 | cif/ Adding structures of 7159707 via cif-deposit CGI script. |
7159707.cif |
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