Information card for entry 2215099

Structure parameters

• Chemical name: 1,4-Bis(4-aminophenoxy)butane
• Formula: C16 H20 N2 O2
• Calculated formula: C16 H20 N2 O2
• SMILES: Nc1ccc(cc1)OCCCCOc1ccc(cc1)N
• Title of publication: 1,4-Bis(4-aminophenoxy)butane
• Authors of publication: Naz, Touseef; Akhter, Zareen; Bolte, Michael; Siddiqi, Humaira M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: o3777 - o3777
• a: 5.2638 ± 0.0004 Å
• b: 13.6385 ± 0.0008 Å
• c: 20.4415 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1467.5 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0404
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes