Information card for entry 7203738

Structure parameters

• Formula: C26 H34 N4
• Calculated formula: C26 H34 N4
• SMILES: c1c2c(CN3CCN(CC3)C)c3c(cccc3)c(c2ccc1)CN1CCN(CC1)C
• Title of publication: PET fluoroionophores for Zn2+ and Cu2+: complexation and fluorescence behavior of anthracene derivatives having diethylamine, N-methylpiperazine and N,N-bis(2-picolyl)amine units
• Authors of publication: Kubo, Kanji; Mori, Akira
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2005
• Journal volume: 15
• Journal issue: 27-28
• Pages of publication: 2902
• a: 5.317 ± 0.001 Å
• b: 8.265 ± 0.002 Å
• c: 12.265 ± 0.003 Å
• α: 99.7 ± 0.01°
• β: 91.54 ± 0.01°
• γ: 89.18 ± 0.01°
• Cell volume: 531.1 ± 0.2 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 1.5419 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No