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Information card for entry 8000103
Preview
| Coordinates | 8000103.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H13 N7 O |
|---|---|
| Calculated formula | C24 H13 N7 O |
| SMILES | O=c1n2cc[nH]cc2nc1c1ccccc1.N#CC(=C1C=CC(C=C1)=C(C#N)C#N)C#N |
| 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 | 6.9023 ± 0.0003 Å |
| b | 9.6086 ± 0.0005 Å |
| c | 14.9289 ± 0.0007 Å |
| α | 90° |
| β | 92.125 ± 0.003° |
| γ | 90° |
| Cell volume | 989.43 ± 0.08 Å3 |
| Cell temperature | 90 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for all reflections included in the refinement | 0.054 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| 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. |
8000103.cif |
| 94256 | 2014-01-22 | cif/ Adding structures of 8000103 via cif-deposit CGI script. |
8000103.cif |
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Users of the data should acknowledge the original authors of the
structural data.