Information card for entry 7239375

Structure parameters

• Common name: jonjk70
• Formula: C15 H19 N O5 S
• Calculated formula: C15 H19 N O5 S
• Title of publication: Bisindolines from the reaction of 3,5-dimethoxyaniline with vicinal diones
• Authors of publication: Kovach, James; Brennessel, William W.; Jones, William D.
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 1401
• a: 13.031 ± 0.004 Å
• b: 5.3646 ± 0.0017 Å
• c: 22.323 ± 0.007 Å
• α: 90°
• β: 99.179 ± 0.006°
• γ: 90°
• Cell volume: 1540.5 ± 0.8 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 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: 0.0945
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No