Information card for entry 7251220

Structure parameters

• Formula: C27 H26 N2 O
• Calculated formula: C27 H26 N2 O
• 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: 13.5803 ± 0.0014 Å
• b: 13.5803 ± 0.0014 Å
• c: 11.6172 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2142.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1358
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No