Information card for entry 2241004

Structure parameters

• Common name: 1-[({5-[[(2-Oxidonaphthalen-1-yl)methylidene]azaniumyl]pentyl}iminiumyl)methyl]naphthalen-2-olate
• Chemical name: 1,1'-{(Pentane-1,5-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate)
• Formula: C27 H26 N2 O2
• Calculated formula: C27 H26 N2 O2
• Title of publication: Crystal structure of 1,1'-{(pentane-1,5-diyl)bis[(azaniumylylidene)methanylylidene]}bis(naphthalen-2-olate)
• Authors of publication: Ouari, Kamel; Merzougui, Moufida; Karmazin, Lydia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: 1010 - 1012
• a: 20.908 ± 0.0013 Å
• b: 4.7429 ± 0.0002 Å
• c: 10.681 ± 0.0006 Å
• α: 90°
• β: 96.419 ± 0.003°
• γ: 90°
• Cell volume: 1052.54 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes