Information card for entry 2227997

Structure parameters

• Chemical name: 7-[(3,5-Di-<i>tert</i>-butyl-2-hydroxybenzylidene)amino]-4-methyl-2<i>H</i>- chromen-2-one
• Formula: C25 H29 N O3
• Calculated formula: C25 H29 N O3
• SMILES: O=c1cc(C)c2c(o1)cc(cc2)/N=C/c1cc(cc(c1O)C(C)(C)C)C(C)(C)C
• Title of publication: 7-[(3,5-Di-<i>tert</i>-butyl-2-hydroxybenzylidene)amino]-4-methyl-2<i>H</i>-chromen-2-one
• Authors of publication: Aazam, Elham S.; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2587 - o2588
• a: 17.6067 ± 0.0014 Å
• b: 9.6853 ± 0.0005 Å
• c: 27.237 ± 0.003 Å
• α: 90°
• β: 109.832 ± 0.006°
• γ: 90°
• Cell volume: 4369.2 ± 0.7 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.1697
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 0.836
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes