Information card for entry 7127582

Structure parameters

• Formula: C26 H26 N2 O4 S2
• Calculated formula: C26 H26 N2 O4 S2
• Title of publication: Rapid synthesis of azepinoindole derivatives from tryptamine sulfonamides and bromoallyl sulfones <i>via</i> an acid-mediated cyclization and rearrangement.
• Authors of publication: Gurram, Ravikumar; Nanubolu, Jagadeesh Babu; Menon, Rajeev S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 635 - 638
• a: 16.1653 ± 0.0014 Å
• b: 8.6116 ± 0.0007 Å
• c: 18.798 ± 0.0016 Å
• α: 90°
• β: 111.557 ± 0.001°
• γ: 90°
• Cell volume: 2433.8 ± 0.4 ų
• Cell temperature: 293 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No