Information card for entry 2221834

Structure parameters

• Chemical name: 4,4'-(Hexane-1,6-diyldioxy)dianiline
• Formula: C18 H24 N2 O2
• Calculated formula: C18 H24 N2 O2
• SMILES: Nc1ccc(cc1)OCCCCCCOc1ccc(cc1)N
• Title of publication: 4,4'-(Hexane-1,6-diyldioxy)dianiline
• Authors of publication: Khan, Muhammad Saif Ullah; Akhter, Zareen; Bolte, Michael; Siraj, Amna; Siddiqi, Humaira M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1096
• a: 5.4777 ± 0.0006 Å
• b: 13.6049 ± 0.0012 Å
• c: 21.7278 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1619.2 ± 0.3 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: 0.055
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes