Information card for entry 2232290

Structure parameters

• Chemical name: (<i>E</i>)-<i>N</i>,<i>N</i>'-Bis[2-(5-bromo-1<i>H</i>-indol-3-yl)ethyl]- <i>N</i>,<i>N</i>'-(but-2-ene-1,4-diyl)bis(4-methylbenzenesulfonamide)
• Formula: C38 H38 Br2 N4 O4 S2
• Calculated formula: C38 H38 Br2 N4 O4 S2
• SMILES: c1c(ccc2c1c(c[nH]2)CCN(S(=O)(=O)c1ccc(cc1)C)C/C=C/CN(S(=O)(=O)c1ccc(cc1)C)CCc1c2cc(ccc2[nH]c1)Br)Br
• Title of publication: (<i>E</i>)-<i>N</i>,<i>N</i>'-Bis[2-(5-bromo-1<i>H</i>-indol-3-yl)ethyl]-<i>N</i>,<i>N</i>'-(but-2-ene-1,4-diyl)bis(4-methylbenzenesulfonamide)
• Authors of publication: Lou, Yongbing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o2987
• a: 5.9222 ± 0.0008 Å
• b: 10.4859 ± 0.0013 Å
• c: 15.601 ± 0.002 Å
• α: 79.528 ± 0.002°
• β: 87.824 ± 0.002°
• γ: 75.186 ± 0.002°
• Cell volume: 921 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1427
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes