Information card for entry 2240331

Structure parameters

• Chemical name: 1,1'-{(Hexane-1,6-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate)
• Formula: C28 H28 N2 O2
• Calculated formula: C28 H28 N2 O2
• SMILES: c1([O-])c(/C=[NH+]/CCCCCC/[NH+]=C/c2c([O-])ccc3ccccc23)c2ccccc2cc1
• Title of publication: 1,1'-{(Hexane-1,6-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate)
• Authors of publication: Ouari, Kamel; Bendia, Sabrina; Merzougui, Moufida; Bailly, Corinne
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: o51 - o52
• a: 23.722 ± 0.001 Å
• b: 8.8117 ± 0.0003 Å
• c: 10.3903 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2171.9 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes