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Information card for entry 7204935
Preview
Coordinates | 7204935.cif |
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Original paper (by DOI) | HTML |
Formula | C14 H15 N3 O2 |
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Calculated formula | C14 H15 N3 O2 |
SMILES | O=N(=O)c1ccc(nc1)N[C@@H](C)c1ccc(C)cc1 |
Title of publication | Synthesis, characterisation and structure‒property analysis of derivatives of the non-linear optical material 5-nitro-N-(1-phenylethyl)pyridin-2-amine |
Authors of publication | Langley, Philip J.; Bailey, Ray T.; Cruickshank, Frank R.; Kennedy, Alan R.; Lochran, Stephen; Pugh, David; Sherwood, John N.; Viikki, Anna; Wallis, John D. |
Journal of publication | Journal of Materials Chemistry |
Year of publication | 2001 |
Journal volume | 11 |
Journal issue | 4 |
Pages of publication | 1047 |
a | 11.415 ± 0.0007 Å |
b | 10.6973 ± 0.0005 Å |
c | 16.935 ± 0.002 Å |
α | 90° |
β | 102.638 ± 0.009° |
γ | 90° |
Cell volume | 2017.8 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0635 |
Residual factor for significantly intense reflections | 0.0501 |
Weighted residual factors for all reflections | 0.1288 |
Weighted residual factors for significantly intense reflections | 0.1186 |
Goodness-of-fit parameter for all reflections | 0.661 |
Goodness-of-fit parameter for significantly intense reflections | 0.713 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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