Information card for entry 2241507

Structure parameters

• Chemical name: 3-(Diethylamino)phenol
• Formula: C10 H15 N O
• Calculated formula: C10 H15 N O
• SMILES: Oc1cc(N(CC)CC)ccc1
• Title of publication: Crystal structure of 3-(diethylamino)phenol
• Authors of publication: Golen, James A.; McDonald, Kyle J.; Manke, David R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: o1075
• a: 14.5166 ± 0.0017 Å
• b: 15.9102 ± 0.0018 Å
• c: 16.0527 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3707.6 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 119.97 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: 0.0603
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes