Information card for entry 7122593

Structure parameters

• Chemical name: IB-266
• Formula: C12 H14 N2 P2 S4
• Calculated formula: C12 H14 N2 P2 S4
• Title of publication: Expanding the chemistry of ring-fused 1,4-diphosphinines by stable mono anion formation.
• Authors of publication: Begum, Imtiaz; Schnakenburg, Gregor; Kelemen, Zsolt; Nyulászi, László; Boeré, René T; Streubel, Rainer
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 96
• Pages of publication: 13555 - 13558
• a: 4.6979 ± 0.0003 Å
• b: 7.2032 ± 0.0004 Å
• c: 12.158 ± 0.0007 Å
• α: 91.108 ± 0.003°
• β: 99.021 ± 0.003°
• γ: 104.05 ± 0.003°
• Cell volume: 393.47 ± 0.04 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: 0.0281
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No