Information card for entry 2239135

Structure parameters

• Chemical name: 2-(3-Cyano-4-{3-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydroindol-2-ylidene]prop-2-enyl}-5,5-dimethyl-5<i>H</i>-furan-2-ylidene)malononitrile
• Formula: C25 H24 N4 O2
• Calculated formula: C25 H24 N4 O2
• Title of publication: 2-(3-Cyano-4-{3-[1-(2-hydroxyethyl)-3,3-dimethyl-1,3-dihydroindol-2-ylidene]prop-2-enyl}-5,5-dimethyl-5<i>H</i>-furan-2-ylidene)malononitrile
• Authors of publication: Gainsford, Graeme J.; Bhuiyan, M. Delower H.; Kay, Andrew J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: o45 - o46
• a: 9.4276 ± 0.0004 Å
• b: 21.5486 ± 0.0009 Å
• c: 11.1178 ± 0.0005 Å
• α: 90°
• β: 103.916 ± 0.002°
• γ: 90°
• Cell volume: 2192.31 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0789
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes