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Information card for entry 1547192
Preview
| Coordinates | 1547192.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H10 N2 Na2 O11 |
|---|---|
| Calculated formula | C14 H4 N2 Na2 O11 |
| SMILES | c1(C(=O)[O-])cc(c3c4c(cc([nH]4)C(=O)[O-])C(=O)C(=O)c3n1)C(=O)O.[Na+].O.O.[Na+].O |
| Title of publication | Crystal structure and characterization of pyrroloquinoline quinone disodium trihydrate |
| Authors of publication | Kazuto Ikemoto; Hitoshi Sakamoto; Masahiko Nakano |
| Journal of publication | Chemistry Central Journal |
| Year of publication | 2012 |
| Journal volume | 6 |
| Pages of publication | 57 |
| a | 7.60872 ± 0.00014 Å |
| b | 10.09635 ± 0.00018 Å |
| c | 11.4337 ± 0.0002 Å |
| α | 72.858 ± 0.005° |
| β | 88.015 ± 0.007° |
| γ | 82.627 ± 0.006° |
| Cell volume | 832.38 ± 0.04 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for all reflections included in the refinement | 0.1429 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200932 (current) | 2017-09-15 | cif/ Adding structures of 1547192 via cif-deposit CGI script. |
1547192.cif |
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Users of the data should acknowledge the original authors of the
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