Information card for entry 7063179

Structure parameters

• Formula: C3.17 H2.67 Br0.17 N0.33 O0.33
• Calculated formula: C3.16667 H2.66667 Br0.166667 N0.333333 O0.333333
• Title of publication: Facile synthesis of spiro-pyrazolone-tetrahydrofurans/pyrans: ipso-cyclization of arylidene pyrazolones with haloalcohols
• Authors of publication: Gond, Kavyashree Kuppayya; Maddani, Mahagundappa Rachappa
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 21.8407 ± 0.0005 Å
• b: 6.7167 ± 0.0001 Å
• c: 24.668 ± 0.0007 Å
• α: 90°
• β: 109.105 ± 0.003°
• γ: 90°
• Cell volume: 3419.41 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.17
• Weighted residual factors for all reflections included in the refinement: 0.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No