Information card for entry 2237648

Structure parameters

• Chemical name: 5,11-Ditosyl-5<i>H</i>,11<i>H</i>-dibenzo[<i>b</i>,<i>f</i>][1,5]diazocine-6,12-dione acetic acid hemisolvate
• Formula: C29 H24 N2 O7 S2
• Calculated formula: C29 H24 N2 O7 S2
• Title of publication: 5,11-Ditosyl-5<i>H</i>,11<i>H</i>-dibenzo[<i>b</i>,<i>f</i>][1,5]diazocine-6,12-dione acetic acid hemisolvate
• Authors of publication: Abbassi, Najat; Bassou, Oulemda; Rakib, El Mostapha; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o614 - o615
• a: 8.6933 ± 0.0011 Å
• b: 11.1746 ± 0.0018 Å
• c: 14.8051 ± 0.0019 Å
• α: 87.042 ± 0.004°
• β: 74.37 ± 0.005°
• γ: 75.097 ± 0.004°
• Cell volume: 1338.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0566
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No