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Information card for entry 2228762
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| Coordinates | 2228762.cif |
|---|---|
| Structure factors | 2228762.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile |
|---|---|
| Formula | C20 H14 F N3 |
| Calculated formula | C20 H14 F1.01 N3 |
| Title of publication | 2-Amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[<i>h</i>]quinoline-3-carbonitrile |
| Authors of publication | Wang, Wei; Tang, Shi-gui; Guo, Cheng; Luan, Chang-jun; Du, Ren-jun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 1 |
| Pages of publication | o96 |
| a | 6.969 ± 0.0014 Å |
| b | 12.716 ± 0.003 Å |
| c | 17.379 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1540.1 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0687 |
| Residual factor for significantly intense reflections | 0.0516 |
| Weighted residual factors for significantly intense reflections | 0.1478 |
| Weighted residual factors for all reflections included in the refinement | 0.1609 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181208 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/87. |
2228762.cif 2228762.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228762.cif 2228762.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228762.cif 2228762.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. | 2228762.cif 2228762.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228762.cif 2228762.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228762.cif 2228762.hkl |
| 9895 | 2011-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 2228762 via cif-deposit CGI script. |
2228762.cif |
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Users of the data should acknowledge the original authors of the
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