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Information card for entry 4113018
Preview
| Coordinates | 4113018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C26 H21 N3 O4 |
|---|---|
| Calculated formula | C26 H21 N3 O4 |
| SMILES | c1(ccccc1)N(c1ccc(cc1)N1C(=O)CCC1=O)c1ccc(cc1)N1C(=O)CCC1=O |
| Title of publication | Multi-Maleimides Bearing Electron-Donating Chromophores: Reversible Fluorescence and Aggregation Behavior |
| Authors of publication | Xin Zhang; Zi-Chen Li; Kai-Bo Li; Fu-Sheng Du; Fu-Mian Li |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 12200 - 12201 |
| a | 9.9786 ± 0.0005 Å |
| b | 11.2659 ± 0.0006 Å |
| c | 11.726 ± 0.0007 Å |
| α | 66.493 ± 0.004° |
| β | 64.985 ± 0.003° |
| γ | 85.724 ± 0.003° |
| Cell volume | 1088.38 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1816 |
| Residual factor for significantly intense reflections | 0.0759 |
| Weighted residual factors for significantly intense reflections | 0.1691 |
| Weighted residual factors for all reflections included in the refinement | 0.2149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.871 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4113018.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4113018.cif |
| 178901 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/30. |
4113018.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4113018.cif |
| 65438 | 2012-09-05 | cif/ Adding structures of 4113018 via cif-deposit CGI script. |
4113018.cif |
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Users of the data should acknowledge the original authors of the
structural data.