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Information card for entry 7052799
Preview
| Coordinates | 7052799.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41 H41 N5 O13 |
|---|---|
| Calculated formula | C41 H41 N5 O13 |
| 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 | 13.9724 ± 0.0004 Å |
| b | 32.9044 ± 0.0009 Å |
| c | 8.6563 ± 0.0002 Å |
| α | 90° |
| β | 101.086 ± 0.002° |
| γ | 90° |
| Cell volume | 3905.5 ± 0.18 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 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 | 0.1429 |
| Residual factor for significantly intense reflections | 0.0872 |
| Weighted residual factors for significantly intense reflections | 0.2207 |
| Weighted residual factors for all reflections included in the refinement | 0.257 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7052799.cif |
| 180081 | 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. |
7052799.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052799.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052799.cif |
| 31363 | 2011-12-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7052797, 7052798, 7052799 via cif-deposit CGI script. |
7052799.cif |
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Users of the data should acknowledge the original authors of the
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