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Information card for entry 2239083
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| Coordinates | 2239083.cif |
|---|---|
| Structure factors | 2239083.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Adenin-1-ium hydrogen isophthalate dimethylformamide monosolvate |
|---|---|
| Formula | C16 H18 N6 O5 |
| Calculated formula | C16 H18 N6 O5 |
| Title of publication | Adenin-1-ium hydrogen isophthalate dimethylformamide monosolvate |
| Authors of publication | Koteswara Rao, Vandavasi; Siddiqui, Tausif; Zeller, Matthias; Lovelace-Cameron, Sherri R. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | o166 - o167 |
| a | 38.307 ± 0.018 Å |
| b | 46.05 ± 0.02 Å |
| c | 3.7832 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6674 ± 5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.13 |
| Residual factor for significantly intense reflections | 0.0877 |
| Weighted residual factors for significantly intense reflections | 0.2102 |
| Weighted residual factors for all reflections included in the refinement | 0.2328 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181890 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/90. |
2239083.cif 2239083.hkl |
| 181309 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/90. |
2239083.cif 2239083.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2239083.cif 2239083.hkl |
| 104970 | 2014-03-11 | cif/ hkl/ Adding structures of 2239083 via cif-deposit CGI script. |
2239083.cif 2239083.hkl |
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Users of the data should acknowledge the original authors of the
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