Information card for entry 2009122

Structure parameters

• Chemical name: 10,11-Dibromo-3,6-ditosyl-3,6-diazabicyclo[6.4.0]dodeca-1(8),9,11-triene
• Formula: C24 H24 Br2 N2 O4 S2
• Calculated formula: C24 H24 Br2 N2 O4 S2
• SMILES: Cc1ccc(cc1)S(=O)(=O)N1CCN(Cc2c(C1)cc(Br)c(c2)Br)S(=O)(=O)c1ccc(cc1)C
• Title of publication: 10,11-Dibromo-3,6-ditosyl-3,6-diazabicyclo[6.4.0]dodeca-1(8),9,11-triene
• Authors of publication: Şamil Işık; Sema Öztürk; Hoong-Kun Fun; Erbil Ag̃ar; Selami Şaşmaz
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1850 - 1852
• a: 10.4475 ± 0.0001 Å
• b: 10.4475 ± 0.0001 Å
• c: 22.8183 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2490.62 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.128
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No