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Information card for entry 2236157
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| Coordinates | 2236157.cif |
|---|---|
| Structure factors | 2236157.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Common name | phenanthro[9,10-d]imidazole |
|---|---|
| Chemical name | 2-(4-Fluorophenyl)-1-(4-methylphenyl)-1<i>H</i>- phenanthro[9,10-<i>d</i>]imidazole |
| Formula | C28 H19 F N2 |
| Calculated formula | C28 H19 F N2 |
| SMILES | Fc1ccc(c2n(c3c(n2)c2c(c4c3cccc4)cccc2)c2ccc(cc2)C)cc1 |
| Title of publication | 2-(4-Fluorophenyl)-1-(4-methylphenyl)-1<i>H</i>-phenanthro[9,10-<i>d</i>]imidazole |
| Authors of publication | Rosepriya, S.; Thiruvalluvar, A.; Sathishkumar, R.; Jayabharathi, J.; Öztürk Yildirim, Sema; Butcher, R.J. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | o2880 |
| a | 10.1809 ± 0.0002 Å |
| b | 10.7654 ± 0.0002 Å |
| c | 18.4871 ± 0.0003 Å |
| α | 90° |
| β | 96.115 ± 0.001° |
| γ | 90° |
| Cell volume | 2014.68 ± 0.06 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 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 | 0.0452 |
| Residual factor for significantly intense reflections | 0.0403 |
| Weighted residual factors for significantly intense reflections | 0.1014 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2236157.cif 2236157.hkl |
| 181283 | 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 2/23/61. |
2236157.cif 2236157.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. |
2236157.cif 2236157.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236157.cif 2236157.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. | 2236157.cif 2236157.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236157.cif 2236157.hkl |
| 69702 | 2012-12-21 | cif/ Adding structures of 2236157 via cif-deposit CGI script. |
2236157.cif |
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Users of the data should acknowledge the original authors of the
structural data.