Information card for entry 7135846

Structure parameters

• Formula: C23 H17 Br N2 O2
• Calculated formula: C23 H17 Br N2 O2
• Title of publication: Diastereoselective assembly of complex benzofuran-annulated spiro-tetrahydroquinoline frameworks <i>via</i> Povarov cyclization.
• Authors of publication: Tarray, Amir Rashid; Naaz, Ayshia; Patel, Tulsi R.; Ganguly, Bishwajit; Bhat, Bilal A.; Rashid, Showkat
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2026
• a: 8.6102 ± 0.0002 Å
• b: 13.8584 ± 0.0004 Å
• c: 15.3809 ± 0.0005 Å
• α: 90°
• β: 95.625 ± 0.001°
• γ: 90°
• Cell volume: 1826.47 ± 0.09 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• 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: 0.035
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No