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Information card for entry 2238377
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| Coordinates | 2238377.cif |
|---|---|
| Structure factors | 2238377.hkl |
| Original IUCr paper | HTML |
| Common name | (E)-1-((2,4,6-tribromophenyl)diazenyl)naphthalen-2-ol. |
|---|---|
| Chemical name | (<i>E</i>)-1-[(2,4,6-Tribromophenyl)diazenyl]naphthalen-2-ol |
| Formula | C16 H9 Br3 N2 O |
| Calculated formula | C16 H9 Br3 N2 O |
| SMILES | Brc1cc(Br)c(c(c1)Br)/N=N/c1c(O)ccc2c1cccc2 |
| Title of publication | (<i>E</i>)-1-[(2,4,6-Tribromophenyl)diazenyl]naphthalen-2-ol |
| Authors of publication | Chetioui, Souheyla; Boudraa, Issam; Bouacida, Sofiane; Bouchoul, Abdelkader; Bouaoud, Salah Eddine |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | o1250 |
| a | 3.9904 ± 0.0011 Å |
| b | 15.689 ± 0.004 Å |
| c | 24.58 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1538.8 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0568 |
| Residual factor for significantly intense reflections | 0.0338 |
| Weighted residual factors for significantly intense reflections | 0.0609 |
| Weighted residual factors for all reflections included in the refinement | 0.0663 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.962 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (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 2/23/83. |
2238377.cif 2238377.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. |
2238377.cif 2238377.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238377.cif 2238377.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238377.cif 2238377.hkl |
| 88220 | 2013-09-04 | cif/ Adding structures of 2238377 via cif-deposit CGI script. |
2238377.cif |
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Users of the data should acknowledge the original authors of the
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