Information card for entry 2205424

Structure parameters

• Chemical name: 2-(2,6-Diisopropylphenylamino)cyclohex-1-enyl phenyl ketone
• Formula: C25 H31 N O
• Calculated formula: C25 H31 N O
• SMILES: O=C(c1ccccc1)C1=C(Nc2c(cccc2C(C)C)C(C)C)CCCC1
• Title of publication: 2-(2,6-Diisopropylphenylamino)cyclohex-1-enyl phenyl ketone
• Authors of publication: Gui, Guo-Qiu; Bao, Feng; Lü, Xing-Qiang; Wu, Qing; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1070 - o1071
• a: 9.815 ± 0.001 Å
• b: 23.404 ± 0.003 Å
• c: 18.777 ± 0.002 Å
• α: 90°
• β: 92.002 ± 0.002°
• γ: 90°
• Cell volume: 4310.6 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes