Information card for entry 2206976

Structure parameters

• Common name: 4-Hexylaminophenol
• Chemical name: 4-(n-Hexylamino)phenol
• Formula: C12 H19 N O
• Calculated formula: C12 H19 N O
• SMILES: Oc1ccc(NCCCCCC)cc1
• Title of publication: 4-(Hexylamino)phenol
• Authors of publication: Herrera, Ana M.; Bernès, Sylvain; López, Delia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: o3210 - o3211
• a: 4.7016 ± 0.0006 Å
• b: 10.1325 ± 0.0014 Å
• c: 26.273 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1251.6 ± 0.3 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes