Information card for entry 2203788

Structure parameters

• Formula: C31 H24 N2 O4 S2
• Calculated formula: C31 H24 N2 O4 S2
• SMILES: C1(C=CC([C@@H]2[C@H]1C2(c1ccccc1)c1ccccc1)=NS(=O)(=O)c1ccccc1)=NS(=O)(=O)c1ccccc1
• Title of publication: <i>N</i>,<i>N</i>-[(<i>Z</i>,<i>Z</i>)-7,7-Diphenylbicyclo[4.1.0]hept-3-ene-2,5-diylidene]dibenzenesulfonamide
• Authors of publication: Pinkus, A. G.; Klausmeyer, Kevin K.; Feazell, Rodney P.; Jiro Tsuji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o982 - o984
• a: 7.0546 ± 0.0003 Å
• b: 23.3933 ± 0.0011 Å
• c: 16.2515 ± 0.0009 Å
• α: 90°
• β: 102.405 ± 0.003°
• γ: 90°
• Cell volume: 2619.4 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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 all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes