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Information card for entry 4324519
Preview
Coordinates | 4324519.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H18 F N |
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Calculated formula | C16 H18 F N |
SMILES | c1(ccccc1F)/N=C/C1=CC[C@H]2C[C@@H]1C2(C)C |
Title of publication | Direct Synthesis of NNN-Donor Enantiopure Scorpionate Ligands by an Efficient Diastereoselective Nucleophilic Addition to Imines |
Authors of publication | Antonio Otero; Juan Fernández-Baeza; Juan Tejeda; Agustín Lara-Sánchez; Sonia Franco; Jaime Martínez-Ferrer; María P. Carrión; I. López-Solera; Ana M. Rodríguez; Luis F. Sánchez-Barba |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 1826 - 1839 |
a | 10.707 ± 0.004 Å |
b | 6.833 ± 0.002 Å |
c | 18.393 ± 0.006 Å |
α | 90° |
β | 98.577 ± 0.005° |
γ | 90° |
Cell volume | 1330.6 ± 0.8 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 4 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0689 |
Residual factor for significantly intense reflections | 0.0532 |
Weighted residual factors for significantly intense reflections | 0.1266 |
Weighted residual factors for all reflections included in the refinement | 0.1368 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
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/4324519.html
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structural data.