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Information card for entry 1502530
Preview
| Coordinates | 1502530.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H23 B F2 N3 O2 |
|---|---|
| Calculated formula | C29 H22.5 B F2 N3 O2 |
| SMILES | F[B]1(F)[n]2c(C)cc(c2=C(c2c3cccnc3c(OC(=O)c3ccccc3)cc2)c2n1c(cc2C)C)C |
| Title of publication | Rational Design and Synthesis for Versatile FRET Ratiometric Sensor for Hg2+ and Fe2+: A Flexible 8-Hydroxyquinoline Benzoate Linked Bodipy-Porphyrin Dyad |
| Authors of publication | Chen, Yuting; Wan, Liang; Yu, Xiang; Li, Wenjun; Bian, Yongzhong; Jiang, Jianzhuang |
| Journal of publication | Organic letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 21 |
| Pages of publication | 5774 - 5777 |
| a | 11.4074 ± 0.001 Å |
| b | 25.629 ± 0.003 Å |
| c | 16.6602 ± 0.0013 Å |
| α | 90° |
| β | 106.959 ± 0.007° |
| γ | 90° |
| Cell volume | 4659 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2278 |
| Residual factor for significantly intense reflections | 0.0897 |
| Weighted residual factors for significantly intense reflections | 0.0972 |
| Weighted residual factors for all reflections included in the refinement | 0.1225 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210341 (current) | 2018-09-02 | cif/1/ Updating bibliography in entries 1502530, 1516226. Marking entry 1516226 as a duplicate of entry 1502530. |
1502530.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. |
1502530.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502530.cif |
| 86227 | 2013-05-10 | smi/1 Adding SMILES for boranes, metalocenes, metal carbonyls and others in subdir 1 |
1502530.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1502530.cif |
| 35823 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1502530 via cif-deposit CGI script. |
1502530.cif |
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Users of the data should acknowledge the original authors of the
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