Information card for entry 7121139

Structure parameters

• Chemical name: ABK-466
• Formula: C34 H46 N4 P2 S2 Se2
• Calculated formula: C34 H46 N4 P2 S2 Se2
• 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: 18.5972 ± 0.0007 Å
• b: 13.2665 ± 0.0005 Å
• c: 15.6185 ± 0.0006 Å
• α: 90°
• β: 103.28 ± 0.0013°
• γ: 90°
• Cell volume: 3750.4 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No