Information card for entry 2012105

Structure parameters

• Common name: 2-[(4-methoxyphenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline
• Chemical name: 2-[(4-methoxyphenyl)methylidene]-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)(N1c2c(N(S(=O)(=O)c3ccc(cc3)C)C(=C/c3ccc(OC)cc3)/C1)cccc2)c1ccc(cc1)C
• Title of publication: A series of three (<i>E</i>)-2-alkylidene-1,4-di-<i>p</i>-tosyl-1,2,3,4-tetrahydroquinoxaline compounds
• Authors of publication: Banerjee, Surajit; Mukherjee, Alok K.; Mukhopadhyay, Rupa; Kundu, Nitya G.; Welch, Alan J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: 861 - 864
• a: 10.546 ± 0.001 Å
• b: 11.844 ± 0.001 Å
• c: 21.985 ± 0.003 Å
• α: 90°
• β: 101.25 ± 0.01°
• γ: 90°
• Cell volume: 2693.3 ± 0.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0661
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes