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Information card for entry 7150908
Preview
| Coordinates | 7150908.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 6-cyclopropyl-9H-purine |
|---|---|
| Chemical name | 6-cyclopropyl-9H-purine |
| Formula | C8 H8 N4 |
| Calculated formula | C8 H8 N4 |
| SMILES | c1nc(c2c(n1)[nH]cn2)C1CC1 |
| Title of publication | Synthesis of substituted 6-cyclopropylpurine bases and nucleosides by cross-coupling reactions or cyclopropanations |
| Authors of publication | Kuchař, Martin; Pohl, Radek; Klepetářová, Blanka; Votruba, Ivan; Hocek, Michal |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2008 |
| Journal volume | 6 |
| Journal issue | 13 |
| Pages of publication | 2377 - 2387 |
| a | 13.6246 ± 0.0003 Å |
| b | 7.0143 ± 0.0001 Å |
| c | 7.8922 ± 0.0002 Å |
| α | 90° |
| β | 99.789 ± 0.002° |
| γ | 90° |
| Cell volume | 743.25 ± 0.03 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 3 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.0446 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for all reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.0577 |
| Weighted residual factors for all reflections included in the refinement | 0.0577 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.944 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180295 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/09. |
7150908.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150908.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150908.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7150908.cif |
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