Information card for entry 7102888

Structure parameters

• Formula: C84 H80 K2 O4 P4 S4
• Calculated formula: C84 H80 K2 O4 P4 S4
• SMILES: C(=C(c1ccccc1)c1ccccc1)(P(c1ccccc1)(c1ccccc1)=S)P(=S)(c1ccccc1)c1ccccc1.[K]1[O](C)CC[O]1C
• Title of publication: Synthesis of a stable radical anion via the one electron reduction of a 1,1-bis-phosphinosulfide alkene derivative.
• Authors of publication: Cantat, Thibault; Biaso, Frédéric; Momin, Aurélien; Ricard, Louis; Geoffroy, Michel; Mézailles, Nicolas; Le Floch, Pascal
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 7
• Pages of publication: 874 - 876
• a: 11.686 ± 0.001 Å
• b: 12.026 ± 0.001 Å
• c: 15.252 ± 0.001 Å
• α: 86.202 ± 0.001°
• β: 78.74 ± 0.001°
• γ: 62.411 ± 0.001°
• Cell volume: 1862.4 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0669
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No