Information card for entry 2229949

Structure parameters

• Chemical name: 1,1'-[(1<i>E</i>,11<i>E</i>)-5,8-Dioxa-2,11-diazoniadodeca-1,11-diene-\ 1,12-diyl]dinaphthalen-2-olate
• Formula: C28 H28 N2 O4
• Calculated formula: C28 H28 N2 O4
• SMILES: O=C1C=Cc2c(/C1=C/NCCOCCOCCN/C=C1\C(=O)C=Cc3c1cccc3)cccc2
• Title of publication: 1,1'-[(1<i>E</i>,11<i>E</i>)-5,8-Dioxa-2,11-diazoniadodeca-1,11-diene-1,12-diyl]dinaphthalen-2-olate
• Authors of publication: Liu, Yanju; Liu, Kai; Cao, Zhiqiang; Niu, Meiju
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1074
• a: 44.704 ± 0.004 Å
• b: 6.3576 ± 0.0006 Å
• c: 8.2074 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2332.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.1206
• Residual factor for significantly intense reflections: 0.0677
• Weighted residual factors for significantly intense reflections: 0.1864
• Weighted residual factors for all reflections included in the refinement: 0.2235
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes