Information card for entry 2004808

Structure parameters

• Formula: C36 H40 N4 O2
• Calculated formula: C36 H38 N4 O2
• SMILES: Cc1cc(CN2CCN(CC2)Cc2cc(C)cc(c2O)C=NCc2ccccc2)c(c(c1)C=NCc1ccccc1)O
• Title of publication: 2,2'-Piperazin-1,4-diyldimethylenebis[6-(benzyliminomethyl)-4-methylphenol]
• Authors of publication: Gunasekaran, K.; Govindasamy, L.; Shanmuga Sundara Raj, S.; Velmurugan, D.; Karunakaran, S.; Kandaswamy, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 1027 - 1028
• a: 5.931 ± 0.002 Å
• b: 20.811 ± 0.003 Å
• c: 12.479 ± 0.001 Å
• α: 90°
• β: 98.68 ± 0.03°
• γ: 90°
• Cell volume: 1522.6 ± 0.6 ų
• Cell temperature: 298 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.06
• Goodness-of-fit parameter for significantly intense reflections: 1.15
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No