Information card for entry 7121136

Structure parameters

• Chemical name: ABK-435
• Formula: C63 H92 N8 O8 P4 S4
• Calculated formula: C63 H92 N8 O8 P4 S4
• Title of publication: 1,4-Additions of tricyclic 1,4-diphosphinines - a novel system to study σ-bond activation and π-π dispersion interactions.
• Authors of publication: Koner, Abhishek; Kelemen, Zsolt; Schnakenburg, Gregor; Nyulászi, László; Streubel, Rainer
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1182 - 1184
• a: 14.6456 ± 0.0008 Å
• b: 15.5637 ± 0.0009 Å
• c: 17.4714 ± 0.001 Å
• α: 67.92 ± 0.003°
• β: 78.389 ± 0.003°
• γ: 73.028 ± 0.003°
• Cell volume: 3510.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.097
• Weighted residual factors for significantly intense reflections: 0.2324
• Weighted residual factors for all reflections included in the refinement: 0.2482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No