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Information card for entry 1552119
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| Coordinates | 1552119.cif |
|---|---|
| Structure factors | 1552119.hkl |
| Original IUCr paper | HTML |
| Chemical name | 5-Amino-6-nitro-1,10-phenanthroline |
|---|---|
| Formula | C12 H8 N4 O2 |
| Calculated formula | C12 H8 N4 O2 |
| SMILES | n1c2c3c(c(c(c2ccc1)N(=O)=O)N)cccn3 |
| Title of publication | 5-Amino-6-nitro-1,10-phenanthroline |
| Authors of publication | Oosthuizen, U.; Schutte-Smith, M.; Visser, Hendrik G. |
| Journal of publication | IUCrData |
| Year of publication | 2019 |
| Journal volume | 4 |
| Journal issue | 7 |
| Pages of publication | x191016 |
| a | 14.265 ± 0.008 Å |
| b | 8.06 ± 0.004 Å |
| c | 17.564 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2019.4 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1332 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for all reflections included in the refinement | 0.1758 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217194 (current) | 2019-07-20 | cif/ hkl/ Adding structures of 1552119 via cif-deposit CGI script. |
1552119.cif 1552119.hkl |
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