Information card for entry 2008077

Structure parameters

• Formula: C44 H58 N2 O4
• Calculated formula: C22 H29 N O2
• SMILES: c1c(c(ccc1/C=N/c1cc(C(C)(C)C)ccc1C(C)(C)C)O)OC
• Title of publication: 4-(2,5-Di-<i>tert</i>-butylphenylnitrilomethylidyne)-2-methoxyphenol
• Authors of publication: Elerman, Yalc̨in; Elmali, Ayhan; Kendi̇, Engin; Özbey, Süheyla
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 116 - 119
• a: 10.2979 ± 0.0008 Å
• b: 13.1101 ± 0.0011 Å
• c: 16.7038 ± 0.0013 Å
• α: 78.0476 ± 0.0006°
• β: 71.3989 ± 0.0006°
• γ: 79.6493 ± 0.0007°
• Cell volume: 2075.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections: 0.162
• Weighted residual factors for significantly intense reflections: 0.133
• Goodness-of-fit parameter for all reflections: 0.962
• Goodness-of-fit parameter for significantly intense reflections: 1.014
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No