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Information card for entry 1514925
Preview
| Coordinates | 1514925.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H13 N O2 |
|---|---|
| Calculated formula | C16 H13 N O2 |
| SMILES | O=C1/C(c2c(C=C1)cccc2)=C\NCc1occc1 |
| Title of publication | A water soluble Al3+ selective colorimetric and fluorescent turn-on chemosensor and its application in living cell imaging. |
| Authors of publication | Sen, Supriti; Mukherjee, Titas; Chattopadhyay, Basab; Moirangthem, Anuradha; Basu, Anupam; Marek, Jaromir; Chattopadhyay, Pabitra |
| Journal of publication | The Analyst |
| Year of publication | 2012 |
| Journal volume | 137 |
| Journal issue | 17 |
| Pages of publication | 3975 - 3981 |
| a | 9.7368 ± 0.0005 Å |
| b | 9.5514 ± 0.0004 Å |
| c | 13.8091 ± 0.0007 Å |
| α | 90° |
| β | 107.501 ± 0.005° |
| γ | 90° |
| Cell volume | 1224.8 ± 0.11 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 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 | 0.05 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.1154 |
| Weighted residual factors for all reflections included in the refinement | 0.1197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 1514924 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287519 (current) | 2023-11-10 | cod/ (saulius@tasmanijos-velnias) Marking up COD duplicates based on automatic matching in: Path: outputs/cod-new-duplicates-expanded.tsv Name: cod-new-duplicates-expanded.tsv Working Copy Root Path: /home/saulius/struct/COD-crude-data URL: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Relative URL: ^/archives/2021/COD/outputs/cod-new-duplicates-expanded.tsv Repository Root: svn+ssh://www.crystallography.net/home/coder/svn-repositories/COD-crude-data Repository UUID: f03e6fd5-de02-4a89-aa47-d94ad8425ebd Revision: 7431 Node Kind: file Schedule: normal Last Changed Author: saulius Last Changed Rev: 7431 Last Changed Date: 2023-11-10 16:55:42 +0200 (Fri, 10 Nov 2023) Text Last Updated: 2023-11-10 16:31:20 +0200 (Fri, 10 Nov 2023) Checksum: 0c965281867bf38581b3e32df20963a23950bd46 |
1514925.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1514925.cif |
| 110787 | 2014-04-20 | cif/ Adding structures of 1514925 via cif-deposit CGI script. |
1514925.cif |
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Users of the data should acknowledge the original authors of the
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