Information card for entry 2217845

Structure parameters

• Chemical name: 1,4-Bis(4-aminophenoxy)benzene
• Formula: C18 H16 N2 O2
• Calculated formula: C18 H16 N2 O2
• SMILES: Nc1ccc(cc1)Oc1ccc(cc1)Oc1ccc(cc1)N
• Title of publication: 1,4-Bis(4-aminophenoxy)benzene
• Authors of publication: Shemsi, Ahsan M.; Butt, Saeed M.; Fettouhi, Mohammed; Siddiqi, Humaira M.; Akhter, Zareen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o581
• a: 6.9579 ± 0.0009 Å
• b: 22.664 ± 0.003 Å
• c: 5.1202 ± 0.0007 Å
• α: 90°
• β: 111.287 ± 0.002°
• γ: 90°
• Cell volume: 752.34 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes