Information card for entry 2016110

Structure parameters

• Common name: 2-(2-methoxyphenylonethylidene)-1,4-di-p-tosyl-1,2,3,4-tetraquinoxaline
• Chemical name: (E)-2-(2-methoxybenzylidene)-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline
• Formula: C30 H28 N2 O5 S2
• Calculated formula: C30 H28 N2 O5 S2
• SMILES: S(=O)(=O)(N1c2ccccc2N(S(=O)(=O)c2ccc(cc2)C)CC\1=C/c1ccccc1OC)c1ccc(cc1)C
• Title of publication: Two (<i>E</i>)-2-arylidene-1,4-di-<i>p</i>-tosyl-1,2,3,4-tetrahydroquinoxaline compounds: supramolecular frameworks built with C—H···O and C—H···π(arene) hydrogen bonds and π‒π stacking interactions
• Authors of publication: Soumen Ghosh; Rupa Mukhopadhyay; Madeleine Helliwell; Alok K. Mukherjee
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o496 - o500
• a: 10.4081 ± 0.0005 Å
• b: 24.0202 ± 0.0011 Å
• c: 10.2842 ± 0.0005 Å
• α: 90°
• β: 93.314 ± 0.01°
• γ: 90°
• Cell volume: 2566.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes