Information card for entry 1518752

Structure parameters

• Formula: C14 H19 N3 O
• 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 ų
• 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