Information card for entry 2228841

Structure parameters

• Chemical name: (<i>E</i>)-2-{2-<i>tert</i>-Butyl-6-[2-(4-hydroxyphenyl)ethenyl]-1-propyl-1,4- dihydropyridin-4-ylidene}indane-1,3-dione
• Formula: C29 H29 N O3
• Calculated formula: C29 H29 N O3
• SMILES: Oc1ccc(/C=C/c2n(c(cc(c2)=C2C(=O)c3ccccc3C2=O)C(C)(C)C)CCC)cc1
• Title of publication: (<i>E</i>)-2-{2-<i>tert</i>-Butyl-6-[2-(4-hydroxyphenyl)ethenyl]-1-propyl-1,4-dihydropyridin-4-ylidene}indane-1,3-dione
• Authors of publication: Ha, Kwang; Park, Sae Byul; Kim, Hyung Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o141
• a: 9.133 ± 0.0008 Å
• b: 12.4857 ± 0.0012 Å
• c: 20.44 ± 0.002 Å
• α: 90°
• β: 97.775 ± 0.003°
• γ: 90°
• Cell volume: 2309.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1765
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1435
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes