Information card for entry 7134838

Structure parameters

• Formula: C32 H24 Br N2 O3 S
• Calculated formula: C32 H24 Br N2 O3 S
• Title of publication: (4 + 3) Annulation of Enone-Tethered Indoles with α-Alkylidene Succinimides: Access to Seven-Membered Azepino[3,2,1-hi]Indole Scaffolds
• Authors of publication: Raza, Mohammad Saim; Roshani, K. M.; Peddinti, Rama Krishna
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 10.8268 ± 0.0002 Å
• b: 11.8871 ± 0.0002 Å
• c: 20.0235 ± 0.0004 Å
• α: 90°
• β: 91.459 ± 0.001°
• γ: 90°
• Cell volume: 2576.17 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0369
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No