Information card for entry 2232148

Structure parameters

• Chemical name: 2-[5,5-Bis(4-benzyloxyphenyl)-3-cyano-4-methyl-2,5-dihydrofuran-2- ylidene]malononitrile
• Formula: C35 H25 N3 O3
• Calculated formula: C35 H25 N3 O3
• SMILES: O1C(C(=C(C1=C(C#N)C#N)C#N)C)(c1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2)cc1
• Title of publication: C—H···π packing interactions in 2-[5,5-bis(4-benzyloxyphenyl)-3-cyano-4-methyl-2,5-dihydrofuran-2-ylidene]malononitrile
• Authors of publication: Gainsford, Graeme J.; Anderson, Jack; 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: o3046 - o3047
• a: 18.1696 ± 0.0008 Å
• b: 10.0728 ± 0.0005 Å
• c: 15.8413 ± 0.0007 Å
• α: 90°
• β: 103.779 ± 0.003°
• γ: 90°
• Cell volume: 2815.8 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0791
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes