Information card for entry 2232346

Structure parameters

• Chemical name: 2-(3-Cyano-4-{7-[1-(2-hydroxyethyl)-3,3-dimethylindolin-2-ylidene]hepta- 1,3,5-trienyl}-5,5-dimethyl-2,5-dihydrofuran-2-ylidene)malononitrile
• Formula: C29 H28 N4 O2
• Calculated formula: C29 H28 N4 O2
• SMILES: O1C(C(/C=C/C=C/C=C/C=C2/N(c3c(C2(C)C)cccc3)CCO)=C(C1=C(C#N)C#N)C#N)(C)C
• Title of publication: 2-(3-Cyano-4-{7-[1-(2-hydroxyethyl)-3,3-dimethylindolin-2-ylidene]hepta-1,3,5-trienyl}-5,5-dimethyl-2,5-dihydrofuran-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: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3026
• a: 9.3157 ± 0.0004 Å
• b: 10.5376 ± 0.0004 Å
• c: 13.4474 ± 0.0006 Å
• α: 101.338 ± 0.002°
• β: 100.087 ± 0.002°
• γ: 100.57 ± 0.002°
• Cell volume: 1241.42 ± 0.09 ų
• Cell temperature: 124 ± 2 K
• Ambient diffraction temperature: 124 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes