Information card for entry 2215313

Structure parameters

• Chemical name: 2-[(4-Hexyloxyphenyl)iminomethyl]benzene-1,4-diol
• Formula: C19 H23 N O3
• Calculated formula: C19 H23 N O3
• SMILES: c1(c(cc(cc1)O)/C=N/c1ccc(cc1)OCCCCCC)O
• Title of publication: 2-[(4-Hexyloxyphenyl)iminomethyl]benzene-1,4-diol
• Authors of publication: Herrera, Ana M.; Bernès, Sylvain; López, Delia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3853 - o3853
• a: 7.5559 ± 0.001 Å
• b: 12.3351 ± 0.0015 Å
• c: 36.597 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3410.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes