Information card for entry 2219477

Structure parameters

• Chemical name: (Z)-6-{2-[(E)-2,4-Dihydroxybenzylideneamino]phenylaminomethylene}-3-hydroxycyclohexa-2,4-dienone toluene solvate
• Formula: C27 H24 N2 O4
• Calculated formula: C27 H24 N2 O4
• SMILES: N(=C\c1ccc(O)cc1O)/c1c(NC=c2ccc(O)cc2=O)cccc1.c1cc(ccc1)C
• Title of publication: (<i>Z</i>)-6-{2-[(<i>E</i>)-2,4-Dihydroxybenzylideneamino]phenylaminomethylene}-3-hydroxycyclohexa-2,4-dienone toluene solvate
• Authors of publication: Fun, Hoong-Kun; Kia, Reza; Mirkhani, Valiollah; Zargoshi, Hasan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1790 - o1791
• a: 11.9753 ± 0.0003 Å
• b: 18.8539 ± 0.0005 Å
• c: 9.924 ± 0.0002 Å
• α: 90°
• β: 108.819 ± 0.001°
• γ: 90°
• Cell volume: 2120.87 ± 0.09 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.096
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes