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Information card for entry 7014803
Preview
Coordinates | 7014803.cif |
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Original paper (by DOI) | HTML |
Formula | C19 H16 N3 P |
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Calculated formula | C19 H16 N3 P |
SMILES | c1(c2cccc(n2nn1)P(c1ccccc1)c1ccccc1)C |
Title of publication | [1,2,3]Triazolo[1,5-a]pyridyl phosphines reflecting the influence of phosphorus lone pair orientation on spectroscopic properties. |
Authors of publication | Ballesteros-Garrido, Rafael; Bonnafoux, Laurence; Blanco, Fernando; Ballesteros, Rafael; Leroux, Frédéric R; Abarca, Belén; Colobert, Françoise; Alkorta, Ibon; Elguero, José |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 6 |
Pages of publication | 1387 - 1395 |
a | 11.7432 ± 0.0004 Å |
b | 12.4966 ± 0.0004 Å |
c | 13.3411 ± 0.0005 Å |
α | 79.341 ± 0.002° |
β | 66.71 ± 0.002° |
γ | 65.127 ± 0.002° |
Cell volume | 1631.06 ± 0.1 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0908 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1259 |
Weighted residual factors for all reflections included in the refinement | 0.1705 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7014803.html
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