Information card for entry 2236749

Structure parameters

• Chemical name: 2-{3-Cyano-4-[2-(4-diethylamino-2-hydroxyphenyl)ethenyl]-5,5-dimethyl- 2,5-dihydrofuran-2-ylidene}malononitrile acetone 0.25-solvate
• Formula: C91 H94 N16 O9
• Calculated formula: C91 H94 N16 O9
• Title of publication: 2-{3-Cyano-4-[2-(4-diethylamino-2-hydroxyphenyl)ethenyl]-5,5-dimethyl-2,5-dihydrofuran-2-ylidene}malononitrile acetone 0.25-solvate
• Authors of publication: Gainsford, Graeme J.; Ashraf, Mohamed; Kay, Andrew J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: o2991 - o2992
• a: 18.6899 ± 0.0006 Å
• b: 14.4941 ± 0.0004 Å
• c: 16.7485 ± 0.0005 Å
• α: 90°
• β: 95.266 ± 0.002°
• γ: 90°
• Cell volume: 4517.9 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes