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Information card for entry 2234935
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| Coordinates | 2234935.cif |
|---|---|
| Structure factors | 2234935.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-Isopropyl-4,7-dimethyl-2,8-dinitronaphthalene |
|---|---|
| Formula | C15 H16 N2 O4 |
| Calculated formula | C15 H16 N2 O4 |
| Title of publication | 1-Isopropyl-4,7-dimethyl-2,8-dinitronaphthalene |
| Authors of publication | Chakkar, Mouna; Oughris, Najia; Benharref, Ahmed; Daran, Jean-Claude; Berraho, Moha |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | o1893 |
| a | 11.7784 ± 0.0007 Å |
| b | 11.9072 ± 0.0009 Å |
| c | 12.4494 ± 0.001 Å |
| α | 107.928 ± 0.007° |
| β | 112.834 ± 0.007° |
| γ | 104.536 ± 0.006° |
| Cell volume | 1387.7 ± 0.2 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 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 all reflections | 0.0662 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.1447 |
| Weighted residual factors for all reflections included in the refinement | 0.1521 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181271 (current) | 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 2/23/49. |
2234935.cif 2234935.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. |
2234935.cif 2234935.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234935.cif 2234935.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234935.cif 2234935.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234935.cif 2234935.hkl |
| 61552 | 2012-07-05 | cif/ Adding structures of 2234935 via cif-deposit CGI script. |
2234935.cif |
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Users of the data should acknowledge the original authors of the
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