Information card for entry 7059422

Structure parameters

• Chemical name: (E)-1-benzyl-3-(1-(9-hydroxy-9H-fluoren-9-yl)-2-oxo-2-phenylethylidene)indolin-2-one
• Formula: C36 H25 N O3
• Calculated formula: C36 H25 N O3
• SMILES: c12ccccc1c1ccccc1C2(C(=C1\c2ccccc2N(C1=O)Cc1ccccc1)\C(=O)c1ccccc1)O
• 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: 9.753 ± 0.0005 Å
• b: 19.4993 ± 0.0009 Å
• c: 14.0108 ± 0.0007 Å
• α: 90°
• β: 94.635 ± 0.002°
• γ: 90°
• Cell volume: 2655.8 ± 0.2 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: 0.0675
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No