Information card for entry 7161143

Structure parameters

• Formula: C25 H20 Br N O2
• Calculated formula: C25 H20 Br N O2
• Title of publication: Utility of α-halodicyclopentadienones for the synthesis of novel fused heterocycles
• Authors of publication: Lal, Sohan; Tejashree, Gangavara L.; Das, Dipankar; Ganguly, Bishwajit; Chowdhury, Arindrajit; Namboothiri, Irishi N.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 8.7539 ± 0.0003 Å
• b: 10.9118 ± 0.0004 Å
• c: 12.2664 ± 0.0003 Å
• α: 66.662 ± 0.003°
• β: 87.517 ± 0.002°
• γ: 68.82 ± 0.003°
• Cell volume: 996.32 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No