Information card for entry 2212797

Structure parameters

• Chemical name: 5-Dodecyloxy-2-(phenethyliminomethyl)phenol
• Formula: C27 H39 N O2
• Calculated formula: C27 H39 N O2
• SMILES: Oc1c(ccc(OCCCCCCCCCCCC)c1)/C=N/CCc1ccccc1
• Title of publication: 5-Dodecyloxy-2-(phenethyliminomethyl)phenol
• Authors of publication: Räisänen, Minna T.; Leskelä, Markku; Repo, Timo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1816 - o1817
• a: 28.574 ± 0.006 Å
• b: 10.458 ± 0.002 Å
• c: 8.158 ± 0.0016 Å
• α: 90°
• β: 90.78 ± 0.03°
• γ: 90°
• Cell volume: 2437.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1075
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes