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Information card for entry 1505256
Preview
| Coordinates | 1505256.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41 H43 N11 O14 Zn2 |
|---|---|
| Calculated formula | C41 H43 N11 O14 Zn2 |
| SMILES | [Zn]123([n]4ccccc4C[N]1(Cc1[n]2cccc1)Cc1cccc2c1nc1c(c2)cccc1C[N]12[Zn]4([n]5c(C1)cccc5)([n]1c(C2)cccc1)([OH2])ON(=[O]4)=O)(ON(=O)=O)ON(=[O]3)=O.N(=O)(=O)[O-].OCC |
| Title of publication | Simple but effective way to sense pyrophosphate and inorganic phosphate by fluorescence changes. |
| Authors of publication | Lee, Han Na; Swamy, K. M. K.; Kim, Sook Kyung; Kwon, Ji-Young; Kim, Youngmee; Kim, Sung-Jin; Yoon, Yeo Joon; Yoon, Juyoung |
| Journal of publication | Organic letters |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 2 |
| Pages of publication | 243 - 246 |
| a | 10.437 ± 0.004 Å |
| b | 14.854 ± 0.005 Å |
| c | 15.209 ± 0.005 Å |
| α | 78.149 ± 0.007° |
| β | 73.206 ± 0.007° |
| γ | 81.63 ± 0.006° |
| Cell volume | 2199.8 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1754 |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for significantly intense reflections | 0.0687 |
| Weighted residual factors for all reflections included in the refinement | 0.0864 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.497 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1505256.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1505256.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
1505256.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505256.cif |
| 45462 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505256 via cif-deposit CGI script. |
1505256.cif |
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Users of the data should acknowledge the original authors of the
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