Information card for entry 7061247

Structure parameters

• Common name: AM3-63
• Chemical name: 2-((9H-fluoren-9-ylidene)methyl)-6-iodo-1,2-diphenyl-2,3-dihydroquinazolin-4(1H)-one
• Formula: C35 H25 Cl2 I N2 O
• Calculated formula: C35 H25 Cl2 I N2 O
• SMILES: c1c2c(ccc1)c1c(C2=CC2(c3ccccc3)N(c3c(cc(cc3)I)C(=O)N2)c2ccccc2)cccc1.C(Cl)Cl
• 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: 11.086 ± 0.004 Å
• b: 11.54 ± 0.004 Å
• c: 12.936 ± 0.004 Å
• α: 113.666 ± 0.012°
• β: 91.973 ± 0.014°
• γ: 94.252 ± 0.013°
• Cell volume: 1507.8 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0836
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No