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Information card for entry 1507245
Preview
| Coordinates | 1507245.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 1,4,5,8-Naphthaldiimide |
|---|---|
| Chemical name | 1,4,5,8-Naphthalenetetracarboxylic 1,8:4,5 diimide |
| Formula | C14 H6 N2 O4 |
| Calculated formula | C14 H6 N2 O4 |
| Title of publication | Assembly and Processing of Hydrogen Bond Induced Supramolecular Nanostructures |
| Authors of publication | Keeling, D. L.; Oxtoby, N. S.; Wilson, C.; Humphry, M. J.; Champness, N. R.; Beton, P. H. |
| Journal of publication | Nano Letters |
| Year of publication | 2003 |
| Journal volume | 3 |
| Journal issue | 1 |
| Pages of publication | 9 |
| a | 7.6345 ± 0.001 Å |
| b | 8.1774 ± 0.0011 Å |
| c | 8.9355 ± 0.0012 Å |
| α | 89.56 ± 0.002° |
| β | 71.295 ± 0.002° |
| γ | 80.065 ± 0.002° |
| Cell volume | 519.78 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0935 |
| Residual factor for significantly intense reflections | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.0983 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.874 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507245.cif |
| 211332 | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
1507245.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507245.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507245.cif |
| 53765 | 2012-04-20 | cif/ Adding structures of 1507245 via cif-deposit CGI script. |
1507245.cif |
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Users of the data should acknowledge the original authors of the
structural data.