Information card for entry 1545498

Structure parameters

• Chemical name: 1,1'-{(1<i>E</i>,1'<i>E</i>)-[Octane-1,8-diylbis(azanylylidene)]bis(methanylylidene)}bis(naphthalen-2-ol) in the zwitterion form
• Formula: C30 H32 N2 O2
• Calculated formula: C30 H32 N2 O2
• SMILES: O=C1/C(c2c(C=C1)cccc2)=C\NCCCCCCCCN/C=C1\C(=O)C=Cc2ccccc12
• Title of publication: 1,1'-{(1<i>E</i>,1'<i>E</i>)-[Octane-1,8-diylbis(azanylylidene)]bis(methanylylidene)}bis(naphthalen-2-ol) in the zwitterionic form
• Authors of publication: Bendia, Sabrina; Ouari, Kamel; Karmazin, Lydia
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 2
• Pages of publication: x170169
• a: 18.0993 ± 0.0012 Å
• b: 14.2646 ± 0.0009 Å
• c: 9.599 ± 0.0006 Å
• α: 90°
• β: 105.345 ± 0.001°
• γ: 90°
• Cell volume: 2389.9 ± 0.3 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: 0.0749
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes