Information card for entry 2230052

Structure parameters

• Chemical name: 4-<i>tert</i>-Butyl-2-[2-(1,3,3-trimethylindolin-2- ylidene)ethylidene]cyclohexanone
• Formula: C23 H31 N O
• Calculated formula: C23 H31 N O
• SMILES: O=C1CCC(C/C1=C\C=C1\N(C)c2c(C1(C)C)cccc2)C(C)(C)C
• Title of publication: 4-<i>tert</i>-Butyl-2-[2-(1,3,3-trimethylindolin-2-ylidene)ethylidene]cyclohexanone
• Authors of publication: Gainsford, Graeme J.; Ashraf, Mohamed; Kay, Andrew J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1210
• a: 9.7327 ± 0.0004 Å
• b: 17.2187 ± 0.0006 Å
• c: 12.1303 ± 0.0004 Å
• α: 90°
• β: 100.045 ± 0.002°
• γ: 90°
• Cell volume: 2001.69 ± 0.13 ų
• Cell temperature: 116 ± 2 K
• Ambient diffraction temperature: 116 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes