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Information card for entry 2237983
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| Coordinates | 2237983.cif |
|---|---|
| Structure factors | 2237983.hkl |
| Original IUCr paper | HTML |
| Chemical name | [6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexahydro-1<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-9-yl](phenyl)methanone |
|---|---|
| Formula | C19 H19 N3 O4 |
| Calculated formula | C19 H19 N3 O4 |
| Title of publication | [6-(Furan-2-yl)-7-nitro-2,3,4,6,7,8-hexahydro-1<i>H</i>-pyrido[1,2-<i>a</i>]pyrimidin-9-yl](phenyl)methanone |
| Authors of publication | Zhang, Wen-Feng; Xia, Jian-Hui; Xu, Zhao-Hui; Wang, Li-Ben; Yu, Chu-Yi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 6 |
| Pages of publication | o986 |
| a | 13.506 ± 0.003 Å |
| b | 17.675 ± 0.004 Å |
| c | 14.755 ± 0.003 Å |
| α | 90° |
| β | 105.12 ± 0.03° |
| γ | 90° |
| Cell volume | 3400.4 ± 1.4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0819 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1145 |
| Weighted residual factors for all reflections included in the refinement | 0.1264 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181301 (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 2/23/79. |
2237983.cif 2237983.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. |
2237983.cif 2237983.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2237983.cif 2237983.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2237983.cif 2237983.hkl |
| 86681 | 2013-07-11 | cif/ Adding structures of 2237983 via cif-deposit CGI script. |
2237983.cif |
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Users of the data should acknowledge the original authors of the
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