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Information card for entry 4505264
Preview
Coordinates | 4505264.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H19 N5 |
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Calculated formula | C17 H19 N5 |
SMILES | N(=C\C=C\c1ccc(N(CC)CC)cc1)/C(=C(\N)C#N)C#N |
Title of publication | Thermally Stable Imines as New Potential Nonlinear Optical Materials |
Authors of publication | Nesterov, Volodymyr V.; Antipin, Mikhail Yu.; Nesterov, Vladimir N.; Penn, Benjamin G.; Frazier, Donald O.; Timofeeva, Tatiana V. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2004 |
Journal volume | 4 |
Journal issue | 3 |
Pages of publication | 521 |
a | 31.973 ± 0.012 Å |
b | 12.074 ± 0.004 Å |
c | 8.297 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3203 ± 2 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 3 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.1025 |
Residual factor for significantly intense reflections | 0.0579 |
Weighted residual factors for significantly intense reflections | 0.112 |
Weighted residual factors for all reflections included in the refinement | 0.1256 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.88 |
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/4505264.html
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Users of the data should acknowledge the original authors of the
structural data.