Information card for entry 7064355

Structure parameters

• Chemical name: 4-phenylpyrazole-dibenzofuran 6a
• Formula: C30 H20 N4 O
• Calculated formula: C30 H20 N4 O
• Title of publication: 4-Arylpyrazole-Decorated Dibenzofuran: Synthesis, Characterization, Optical Studies and Computational Analysis
• Authors of publication: Kumari, Sonu; Biswas, Napur; Thirumoorthi, Ramalingam; Roy, Bibhisan; Rajagopala Reddy, S.; Bhanuchandra, M.; Bhanuchandra, M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• a: 9.403 ± 0.0001 Å
• b: 10.1164 ± 0.0001 Å
• c: 13.0455 ± 0.0001 Å
• α: 83.04°
• β: 69.069 ± 0.001°
• γ: 69.003 ± 0.001°
• Cell volume: 1082.06 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No