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Information card for entry 7706663
Preview
| Coordinates | 7706663.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 2,5-bis(3-pyridylethynyl)thiophene |
|---|---|
| Formula | C18 H10 N2 S |
| Calculated formula | C18 H10 N2 S |
| SMILES | c1c(cccn1)C#Cc1ccc(C#Cc2cccnc2)s1 |
| Title of publication | First example of solid-state luminescent borasiloxane-based chiral helices assembled through N-B bonds. |
| Authors of publication | Podda, Enrico; Coles, Simon J.; Horton, Peter N.; Lickiss, Paul D.; Bull, Okpara S.; Orton, James B.; Pintus, Anna; Pugh, David; Carla Aragoni, M.; Davies, Robert P. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 11 |
| Pages of publication | 3782 - 3785 |
| a | 34.6428 ± 0.0011 Å |
| b | 7.5712 ± 0.0002 Å |
| c | 10.6915 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2804.25 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0848 |
| Residual factor for significantly intense reflections | 0.0767 |
| Weighted residual factors for significantly intense reflections | 0.1914 |
| Weighted residual factors for all reflections included in the refinement | 0.1965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 263770 (current) | 2021-04-05 | cif/ Updating files of 7706663, 7706664, 7706665, 7706666, 7706667 Original log message: Adding full bibliography for 7706663--7706667.cif. |
7706663.cif |
| 262178 | 2021-02-24 | cif/ Adding structures of 7706663, 7706664, 7706665, 7706666, 7706667 via cif-deposit CGI script. |
7706663.cif |
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Users of the data should acknowledge the original authors of the
structural data.