Information card for entry 7061248

Structure parameters

• Common name: AM3-142
• Formula: C43.5 H34 Br Cl N2 O
• Calculated formula: C43.5 H34 Br Cl N2 O
• Title of publication: BF3·OEt2 catalyzed synthesis of functionalized 9-fluorene-9-ylidene appended quinazolin-4-ones
• Authors of publication: Athira, Mohanakumaran; Smile, Suresh Snoxma; Shanmugam, Ponnusamy
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 2952 - 2961
• a: 13.7423 ± 0.0004 Å
• b: 18.5947 ± 0.0006 Å
• c: 15.441 ± 0.0005 Å
• α: 90°
• β: 108.153 ± 0.001°
• γ: 90°
• Cell volume: 3749.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.2117
• Weighted residual factors for all reflections included in the refinement: 0.2428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No