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Information card for entry 1518752
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Coordinates | 1518752.cif |
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Formula | C14 H19 N3 O |
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Title of publication | An NMR Conformational Study of Ring- and N-Inversion, and Prototropic Tautomerism in Stereoisomeric 2-[Arylamino(imino)]-4a,5,6,7,8,8a-hexahydro-(4H)-1,3,4-benzoxadiazines. |
Authors of publication | Rosling, Ari; Klika, Karel D.; Fulop, Ferenc; Sillanpaa, Reijo; Mattinen, Jorma |
Journal of publication | Acta Chemica Scandinavica |
Year of publication | 1999 |
Journal volume | 53 |
Pages of publication | 103 - 113 |
a | 17.553 ± 0.003 Å |
b | 6.814 ± 0.002 Å |
c | 24.23 ± 0.01 Å |
α | 90° |
β | 96.55 ± 0.02° |
γ | 90° |
Cell volume | 2879.1 ± 1.5 Å3 |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for significantly intense reflections | 0.043 |
Weighted residual factors for significantly intense reflections | 0.04 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | No |
Has disorder | No |
Has Fobs | No |
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