Information card for entry 2224347

Structure parameters

• Chemical name: 4,4'-[Piperazine-1,4-diylbis(propylenenitrilomethylidyne)]diphenol
• Formula: C24 H32 N4 O2
• Calculated formula: C24 H32 N4 O2
• SMILES: N1(CCN(CC1)CCC/N=C/c1ccc(O)cc1)CCC/N=C/c1ccc(O)cc1
• Title of publication: 4,4'-[Piperazine-1,4-diylbis(propylenenitrilomethylidyne)]diphenol
• Authors of publication: Xu, Ruibo; Xu, Xingyou; Yang, Xujie; Huang, Yuping; Xu, Chunmei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o2996
• a: 5.9701 ± 0.001 Å
• b: 30.159 ± 0.003 Å
• c: 12.8348 ± 0.0018 Å
• α: 90°
• β: 97.558 ± 0.002°
• γ: 90°
• Cell volume: 2290.9 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes