Information card for entry 2009730

Structure parameters

• Formula: C14 H13 N2 P S2
• Calculated formula: C14 H13 N2 P S2
• Title of publication: 3-Sulfure de 3-mercapto-5,7-diméthyl-2-phényl-3<i>H</i>-[1,4,2]diazaphospholo[1,5-<i>a</i>]pyridinium
• Authors of publication: Rodier, N.; Cense, J.-M.; Robert, J.-M.; Robert-Piessard, S.; Courant, J.; Le Baut, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 5
• Pages of publication: 810 - 813
• a: 8.492 ± 0.002 Å
• b: 14.067 ± 0.002 Å
• c: 12.273 ± 0.002 Å
• α: 90°
• β: 98.71 ± 0.02°
• γ: 90°
• Cell volume: 1449.2 ± 0.5 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 1.31
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No