Information card for entry 2006325

Structure parameters

• Formula: C26 H22 N2 O6 S2
• Calculated formula: C26 H22 N2 O6 S2
• SMILES: S(=O)(=O)(n1c2ccccc2c2/C(=C/C(=O)OC)CN(S(=O)(=O)c3ccccc3)Cc12)c1ccccc1
• Title of publication: <i>trans</i>-Methyl 2,9-Bis(phenylsulfonyl)-1,2,3,4-tetrahydro-4-β-carbolinylideneacetate
• Authors of publication: Subramanian, E.; Govindasamy, L.; Ravichandran, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 925 - 927
• a: 10.956 ± 0.001 Å
• b: 14.626 ± 0.001 Å
• c: 7.606 ± 0.001 Å
• α: 93.66 ± 0.01°
• β: 92.06 ± 0.01°
• γ: 92.59 ± 0.01°
• Cell volume: 1214.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0798
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections: 0.1657
• Weighted residual factors for significantly intense reflections: 0.1037
• Goodness-of-fit parameter for all reflections: 1.074
• Goodness-of-fit parameter for significantly intense reflections: 0.833
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No