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Information card for entry 7213428
Preview
Coordinates | 7213428.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2-Dimethylamino-4,6-Bis(2-hydroxyphenyl)-1,3,5-Triazine |
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Formula | C17 H16 N4 O2 |
Calculated formula | C17 H16 N4 O2 |
Title of publication | A coupled dual hydrogen bridge system—solution dynamics and crystal structure of 2-dimethylamino-4,6-bis(2-hydroxyphenyl)-1,3,5-triazine † |
Authors of publication | Fischer, Peter; Fettig, Achim; Frey, Wolfgang U.; Henkel, Sonja; Hoier, Helga; Kramer, Horst E. A.; Roessler, Manfred; Birbaum, Jean-Luc |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 2 |
Year of publication | 2001 |
Journal issue | 1 |
Pages of publication | 90 |
a | 7.984 ± 0.001 Å |
b | 21.589 ± 0.004 Å |
c | 8.731 ± 0.001 Å |
α | 90° |
β | 90.35 ± 0.01° |
γ | 90° |
Cell volume | 1504.9 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1053 |
Residual factor for significantly intense reflections | 0.0816 |
Weighted residual factors for all reflections | 0.2813 |
Weighted residual factors for significantly intense reflections | 0.2326 |
Goodness-of-fit parameter for all reflections | 1.076 |
Goodness-of-fit parameter for significantly intense reflections | 1.137 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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