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Information card for entry 7032778
Preview
| Coordinates | 7032778.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H21 N3 O |
|---|---|
| Calculated formula | C30 H21 N3 O |
| SMILES | c1cccc(c2cc(cc(c3ccccn3)n2)c2ccc(cc2)C#Cc2ccc(cc2)OC)n1 |
| Title of publication | Synthesis, structure and photophysical properties of a highly luminescent terpyridine-diphenylacetylene hybrid fluorophore and its metal complexes. |
| Authors of publication | Ghosh, Biswa Nath; Topić, Filip; Sahoo, Prasit Kumar; Mal, Prasenjit; Linnera, Jarno; Kalenius, Elina; Tuononen, Heikki M.; Rissanen, Kari |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 1 |
| Pages of publication | 254 - 267 |
| a | 16.6843 ± 0.0005 Å |
| b | 8.3034 ± 0.0003 Å |
| c | 16.354 ± 0.0004 Å |
| α | 90° |
| β | 103.31 ± 0.0016° |
| γ | 90° |
| Cell volume | 2204.77 ± 0.12 Å3 |
| Cell temperature | 123 ± 0.1 K |
| Ambient diffraction temperature | 123 ± 0.1 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 | 0.0546 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.0968 |
| Weighted residual factors for all reflections included in the refinement | 0.1054 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7032778.cif |
| 180033 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/27. |
7032778.cif |
| 131059 | 2015-02-04 | cif/ Updating files of 7032778, 7032779, 7032780, 7032781, 7032782 Original log message: Adding full bibliography for 7032778--7032782.cif. |
7032778.cif |
| 125196 | 2014-10-10 | cif/ Adding structures of 7032778, 7032779, 7032780, 7032781, 7032782 via cif-deposit CGI script. |
7032778.cif |
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Users of the data should acknowledge the original authors of the
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