Information card for entry 7251223

Structure parameters

• Formula: C28 H26 N2 O2
• Calculated formula: C28 H26 N2 O2
• Title of publication: Metal-Free Stereoselective C(sp3)-H Indolation of N-heterocycles to Potent Antimicrobial Non-Canonical Tryp-Pro Hybrids
• Authors of publication: Saha, Subhajit; Bag, Soumya Ranjan; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Jana, Chandan K.
• Journal of publication: Green Chemistry
• Year of publication: 2025
• a: 9.1088 ± 0.0003 Å
• b: 10.6818 ± 0.0004 Å
• c: 23.1277 ± 0.0009 Å
• α: 90°
• β: 95.527 ± 0.001°
• γ: 90°
• Cell volume: 2239.83 ± 0.14 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 K
• Number of distinct elements: 4
• 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: 0.0489
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No