Information card for entry 7161144

Structure parameters

• Formula: C17 H16 N2 O
• Calculated formula: C17 H16 N2 O
• 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. N.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2026
• Journal volume: 24
• Journal issue: 21
• Pages of publication: 4463 - 4476
• a: 9.5078 ± 0.0008 Å
• b: 11.2634 ± 0.0009 Å
• c: 12.0926 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1295 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No