Information card for entry 7717017

Structure parameters

• Chemical name: TK-326
• Formula: C18 H24 N2 P2 S4
• Calculated formula: C18 H24 N2 P2 S4
• Title of publication: [4 + 1]- and [4 + 2]-cycloadditions of a thiazole-2-thione-based 1,4-diphosphinine - broadening the scope.
• Authors of publication: Kalisch, Tim; Schnakenburg, Gregor; Nikonov, Georgii I.; Streubel, Rainer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• a: 7.2842 ± 0.0005 Å
• b: 9.9259 ± 0.0006 Å
• c: 15.0111 ± 0.0009 Å
• α: 94.948 ± 0.003°
• β: 94.001 ± 0.003°
• γ: 96.798 ± 0.003°
• Cell volume: 1070.17 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No