Information card for entry 7059423

Structure parameters

• Common name: AM3-3-F1
• Chemical name: (E)-1-methyl-3-(2-oxo-2-phenyl-1-(9-(p-tolylamino)-9H-fluoren-9-yl)ethylidene)indolin-2-one
• Formula: C37 H28 N2 O2
• Calculated formula: C37 H28 N2 O2
• SMILES: c1cc(ccc1NC1(c2ccccc2c2ccccc12)/C(=C\1c2ccccc2N(C)C1=O)C(=O)c1ccccc1)C
• Title of publication: Synthesis of blue emissive functionalized 9,9-disubstituted fluorene derivatives via BF3·OEt2 mediated reaction of co-planar 9-(phenylethynyl)-9H-fluoren-9-ols with isatin imines
• Authors of publication: Athira, Mohanakumaran; Meerakrishna, Ramakrishnan Suseela; Shanmugam, Ponnusamy
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 16
• Pages of publication: 6652 - 6660
• a: 11.867 ± 0.003 Å
• b: 12.9 ± 0.003 Å
• c: 18.148 ± 0.006 Å
• α: 90°
• β: 98.427 ± 0.017°
• γ: 90°
• Cell volume: 2748.2 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0982
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.1986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No