Information card for entry 2006199

Structure parameters

• Chemical name: 9-oxo-2-phenoxy-1,3,8,10-tetraaza-2λ^5^- phosphatricyclo[8.4.0.0^3,8^]tetradecane-2-sulfide
• Formula: C15 H21 N4 O2 P S
• Calculated formula: C15 H21 N4 O2 P S
• Title of publication: A Tricyclic Phosphorus(V)‒Hydrazine System with Twist Conformation of the Central Heterocycle
• Authors of publication: Engelhardt, Udo; Rosefid, Mehdi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 773 - 775
• a: 8.002 ± 0.005 Å
• b: 12.286 ± 0.002 Å
• c: 17.38 ± 0.004 Å
• α: 90°
• β: 91.1 ± 0.02°
• γ: 90°
• Cell volume: 1708.4 ± 1.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• 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: 0.067
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.029
• Goodness-of-fit parameter for all reflections: 2.48
• Goodness-of-fit parameter for significantly intense reflections: 2.8
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No