Information card for entry 2229145
| Chemical name |
4,5-Dicarboxynaphthalene-1,8-dicarboxylic anhydride‒1,10-phenanthroline (1/1) |
| Formula |
C26 H14 N2 O7 |
| Calculated formula |
C26 H14 N2 O7 |
| SMILES |
O=C(O)c1c2c(ccc3c2c(cc1)C(=O)OC3=O)C(=O)O.n1cccc2ccc3cccnc3c12 |
| Title of publication |
4,5-Dicarboxynaphthalene-1,8-dicarboxylic anhydride‒1,10-phenanthroline (1/1) |
| Authors of publication |
Wu, Xiang-Yang; Xu, Xiang-Jun; Wang, Xiang-Cheng |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2011 |
| Journal volume |
67 |
| Journal issue |
2 |
| Pages of publication |
o474 |
| a |
9.0189 ± 0.0005 Å |
| b |
10.1588 ± 0.0007 Å |
| c |
11.214 ± 0.0008 Å |
| α |
104.267 ± 0.006° |
| β |
92.278 ± 0.005° |
| γ |
101.256 ± 0.005° |
| Cell volume |
972.42 ± 0.12 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 |
0.0661 |
| Residual factor for significantly intense reflections |
0.0558 |
| Weighted residual factors for significantly intense reflections |
0.1505 |
| Weighted residual factors for all reflections included in the refinement |
0.1592 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.991 |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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https://www.crystallography.net/2229145.html
