Information card for entry 2236245

Structure parameters

• Chemical name: <i>N</i>-(1,3-Dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl)-4,4''-difluoro- 5'-hydroxy-1,1':3',1''-terphenyl-4'-carboxamide
• Formula: C27 H16 F2 N2 O4
• Calculated formula: C27 H16 F2 N2 O4
• SMILES: Fc1ccc(cc1)c1cc(cc(c1C(=O)NN1C(=O)c2c(C1=O)cccc2)O)c1ccc(cc1)F
• Title of publication: <i>N</i>-(1,3-Dioxo-2,3-dihydro-1<i>H</i>-isoindol-2-yl)-4,4''-difluoro-5'-hydroxy-1,1':3',1''-terphenyl-4'-carboxamide
• Authors of publication: Fun, Hoong-Kun; Chia, Tze Shyang; Samshuddin, S.; Narayana, B.; Sarojini, B. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 9
• Pages of publication: o2619 - o2620
• a: 24.8732 ± 0.001 Å
• b: 8.9875 ± 0.0004 Å
• c: 21.3722 ± 0.0009 Å
• α: 90°
• β: 114.921 ± 0.001°
• γ: 90°
• Cell volume: 4332.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes