Information card for entry 2240636

Structure parameters

• Chemical name: 1,1'-{(Dodecane-1,12-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate)
• Formula: C34 H40 N2 O2
• Calculated formula: C34 H40 N2 O2
• SMILES: c1(ccc2ccccc2c1/C=[NH+]/CCCCCCCCCCCC/[NH+]=C/c1c(ccc2ccccc12)[O-])[O-]
• Title of publication: Crystal structure of 1,1'-{(dodecane-1,12-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate)
• Authors of publication: Ouari, Kamel; Merzougui, Moufida; Bendia, Sabrina; Bailly, Corinne
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: o351 - o352
• a: 54.4 ± 0.005 Å
• b: 4.7465 ± 0.0004 Å
• c: 10.7022 ± 0.0009 Å
• α: 90°
• β: 96.318 ± 0.002°
• γ: 90°
• Cell volume: 2746.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0757
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes