Information card for entry 7121138

Structure parameters

• Chemical name: ABK-445
• Formula: C129 H174 Cl2 N20 O8 P8 S8
• Calculated formula: C129 H174 Cl2 N20 O8 P8 S8
• 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: 27.7111 ± 0.0012 Å
• b: 14.5378 ± 0.0007 Å
• c: 21.9682 ± 0.0016 Å
• α: 90°
• β: 126.366 ± 0.0011°
• γ: 90°
• Cell volume: 7126.5 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.2022
• Weighted residual factors for all reflections included in the refinement: 0.2277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No