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Information card for entry 7111671
Preview
| Coordinates | 7111671.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C85 H98 N9 O7 Zn |
|---|---|
| Calculated formula | C85 H95 N9 O7 Zn |
| Title of publication | A lower rim triazole linked calix[4]arene conjugate as a fluorescence switch on sensor for Zn2+ in blood serum milieu |
| Authors of publication | Pathak, Rakesh Kumar; Dikundwar, Amol G.; Row, Tayur N. Guru; Rao, Chebrolu Pulla |
| Journal of publication | Chemical Communications |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 24 |
| Pages of publication | 4345 - 4347 |
| a | 15.5813 ± 0.0006 Å |
| b | 17.2524 ± 0.0005 Å |
| c | 18.4381 ± 0.0006 Å |
| α | 79.959 ± 0.003° |
| β | 65.028 ± 0.004° |
| γ | 76.432 ± 0.003° |
| Cell volume | 4351.7 ± 0.3 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 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 | 0.0999 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.2011 |
| Weighted residual factors for all reflections included in the refinement | 0.2189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.817 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180230 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/16. |
7111671.cif |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
7111671.cif |
| 96725 | 2014-01-29 | cif/ Adding structures of 7111671 via cif-deposit CGI script. |
7111671.cif |
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Users of the data should acknowledge the original authors of the
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