Information card for entry 7110451

Structure parameters

• Formula: C14 H20 P2 S
• Calculated formula: C14 H20 P2 S
• Title of publication: Synthesis of functional 1,4-diphosphaindenes and their related anions
• Authors of publication: Rosa, Patrick; Ricard, Louis; Mathey, François; Floch, Pascal Le
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 6
• Pages of publication: 537
• a: 9.861 ± 0.001 Å
• b: 15.219 ± 0.002 Å
• c: 10.715 ± 0.001 Å
• α: 90°
• β: 110.95 ± 0.01°
• γ: 90°
• Cell volume: 1501.7 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections: 1.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No