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Information card for entry 7052797
Preview
| Coordinates | 7052797.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H29 N5 O2 |
|---|---|
| Calculated formula | C31 H29 N5 O2 |
| SMILES | O=C(Nc1nc(CN(Cc2c3ccccc3cc3ccccc23)Cc2nc(NC(=O)C)ccc2)ccc1)C |
| Title of publication | Recognition of acids involved in Krebs cycle by 9-anthrylmethyl-di(6-acetylamino-2-picolyl)amine: a case of selective fluorescence enhancement for maleic acid |
| Authors of publication | Goswami, Shyamaprosad; Das, Nirmal Kumar; Sen, Debabrata; Hazra, Giridhari; Goh, Jia Hao; Sing, Yeap Chin; Fun, Hoong-Kun |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 12 |
| Pages of publication | 2811 |
| a | 9.4245 ± 0.0002 Å |
| b | 9.9653 ± 0.0002 Å |
| c | 13.9428 ± 0.0003 Å |
| α | 84.353 ± 0.001° |
| β | 88.257 ± 0.001° |
| γ | 89.524 ± 0.001° |
| Cell volume | 1302.5 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0944 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1365 |
| Weighted residual factors for all reflections included in the refinement | 0.1579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180081 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/27. |
7052797.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052797.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052797.cif |
| 31363 | 2011-12-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7052797, 7052798, 7052799 via cif-deposit CGI script. |
7052797.cif |
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Users of the data should acknowledge the original authors of the
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