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Information card for entry 2232320
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| Coordinates | 2232320.cif |
|---|---|
| Structure factors | 2232320.hkl |
| Original IUCr paper | HTML |
| Chemical name | 7-(3-Nitrophenyl)-9,10-dihydro-7<i>H</i>- benzo[<i>h</i>]cyclopenta[<i>b</i>]quinolin-8(11<i>H</i>)-one |
|---|---|
| Formula | C22 H16 N2 O3 |
| Calculated formula | C22 H16 N2 O3 |
| SMILES | O=C1C2=C(Nc3c(C2c2cc(N(=O)=O)ccc2)ccc2c3cccc2)CC1 |
| Title of publication | 7-(3-Nitrophenyl)-9,10-dihydro-7<i>H</i>-benzo[<i>h</i>]cyclopenta[<i>b</i>]quinolin-8(11<i>H</i>)-one |
| Authors of publication | Li, Tuanjie; Zhang, Honghong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | o3068 |
| a | 10.256 ± 0.001 Å |
| b | 13.757 ± 0.0014 Å |
| c | 11.983 ± 0.0012 Å |
| α | 90° |
| β | 104.827 ± 0.005° |
| γ | 90° |
| Cell volume | 1634.4 ± 0.3 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.0718 |
| Residual factor for significantly intense reflections | 0.0546 |
| Weighted residual factors for significantly intense reflections | 0.1202 |
| Weighted residual factors for all reflections included in the refinement | 0.1296 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181245 (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 2/23/23. |
2232320.cif 2232320.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. |
2232320.cif 2232320.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232320.cif 2232320.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. | 2232320.cif 2232320.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232320.cif 2232320.hkl |
| 30975 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232320 via cif-deposit CGI script. |
2232320.cif |
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Users of the data should acknowledge the original authors of the
structural data.