Information card for entry 2222030

Structure parameters

• Chemical name: 2-(4-{3-[1-(3-Bromopropyl)-3,3-dimethyl-2,3-dihydro-1<i>H</i>-indol-2- ylidene]prop-1-enyl}-3-cyano-5,5-dimethyl-2,5-dihydrofuran-2- ylidene)malononitrile
• Formula: C26 H25 Br N4 O
• Calculated formula: C26 H25 Br N4 O
• SMILES: BrCCCN1/C(=C/C=C/C2C(OC(C=2C#N)=C(C#N)C#N)(C)C)C(c2c1cccc2)(C)C
• Title of publication: 2-(4-{3-[1-(3-Bromopropyl)-3,3-dimethyl-2,3-dihydro-1<i>H</i>-indol-2-ylidene]prop-1-enyl}-3-cyano-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: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1315
• a: 10.2349 ± 0.0004 Å
• b: 9.4017 ± 0.0004 Å
• c: 24.4524 ± 0.001 Å
• α: 90°
• β: 96.175 ± 0.002°
• γ: 90°
• Cell volume: 2339.29 ± 0.17 ų
• Cell temperature: 122 ± 2 K
• Ambient diffraction temperature: 122 ± 2 K
• Number of distinct elements: 5
• 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: 0.0764
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes