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Information card for entry 8000102
Preview
| Coordinates | 8000102.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H11 N3 O3 |
|---|---|
| Calculated formula | C7 H11 N3 O3 |
| SMILES | O=c1n2cc[nH]cc2nc1C.O.O |
| Title of publication | Bio-inspired Materials for Electron Donors and Charge-transfer Complex Formation Based on the Imidazopyrazinone Luciferin Core |
| Authors of publication | Suzuki, Mai; Fujii, Takashi; Nogami, Takashi; Hirano, Takashi; Ishida, Takayuki |
| Journal of publication | Chemistry Letters |
| Year of publication | 2006 |
| Journal volume | 35 |
| Journal issue | 3 |
| Pages of publication | 250 |
| a | 6.556 ± 0.003 Å |
| b | 7.786 ± 0.004 Å |
| c | 9.68 ± 0.006 Å |
| α | 105.91 ± 0.05° |
| β | 104.89 ± 0.05° |
| γ | 105.84 ± 0.04° |
| Cell volume | 426.7 ± 0.5 Å3 |
| Cell temperature | 90 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 significantly intense reflections | 0.053 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.454 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176466 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8000102.cif |
| 94255 | 2014-01-22 | cif/ Adding structures of 8000102 via cif-deposit CGI script. |
8000102.cif |
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Users of the data should acknowledge the original authors of the
structural data.