Information card for entry 1518751

Structure parameters

• Formula: C15 H21 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: 8.572 ± 0.005 Å
• b: 18.811 ± 0.003 Å
• c: 9.73 ± 0.003 Å
• α: 90°
• β: 113.82 ± 0.03°
• γ: 90°
• Cell volume: 1435.3 ± 1 ų
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No