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Information card for entry 1543039
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| Coordinates | 1543039.cif |
|---|---|
| Structure factors | 1543039.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | 1,1'-(Hexane-1,6-diyl)bis(indoline-2,3-dione) |
|---|---|
| Formula | C22 H20 N2 O4 |
| Calculated formula | C22 H20 N2 O4 |
| SMILES | O=C1c2c(N(C1=O)CCCCCCN1c3ccccc3C(=O)C1=O)cccc2 |
| Title of publication | 1,1'-(Hexane-1,6-diyl)bis(indoline-2,3-dione) |
| Authors of publication | Qachchachi, Fatima Zahrae; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 4 |
| Pages of publication | x160542 |
| a | 15.1498 ± 0.0003 Å |
| b | 7.4949 ± 0.0002 Å |
| c | 16.4795 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1871.19 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0772 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1502 |
| Weighted residual factors for all reflections included in the refinement | 0.1708 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543039.cif 1543039.hkl |
| 181861 | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding IUCr specific svn headers to multiple entries in range 1. |
1543039.cif 1543039.hkl |
| 181832 | 2016-04-06 | cif/ hkl/ Adding structures of 1543039 via cif-deposit CGI script. |
1543039.cif 1543039.hkl |
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Users of the data should acknowledge the original authors of the
structural data.