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Information card for entry 2239556
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| Coordinates | 2239556.cif |
|---|---|
| Structure factors | 2239556.hkl |
| Original IUCr paper | HTML |
| Chemical name | 1-{(<i>E</i>)-[(2-Methylphenyl)iminiumyl]methyl}naphthalen-2-olate |
|---|---|
| Formula | C18 H15 N O |
| Calculated formula | C18 H15 N O |
| SMILES | Cc1ccccc1N/C=C1\C(=O)C=Cc2c1cccc2 |
| Title of publication | Zwitterionic 1-{(<i>E</i>)-[(2-methylphenyl)iminiumyl]methyl}naphthalen-2-olate |
| Authors of publication | Khelifa Baghdouche, Ammar; Mosbah, Salima; Belhocine, Youghourta; Bencharif, Leïla |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 6 |
| Pages of publication | o676 |
| a | 7.3627 ± 0.0005 Å |
| b | 12.4007 ± 0.001 Å |
| c | 14.4365 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1318.09 ± 0.18 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0538 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.1109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181895 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/95. |
2239556.cif 2239556.hkl |
| 181314 | 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 2/23/95. |
2239556.cif 2239556.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. |
2239556.cif 2239556.hkl |
| 113933 | 2014-05-18 | cif/ hkl/ Adding structures of 2239556 via cif-deposit CGI script. |
2239556.cif 2239556.hkl |
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Users of the data should acknowledge the original authors of the
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