Information card for entry 2007067

Structure parameters

• Chemical name: 2,2'-piperazin-1,4-diyldimethylene-bis[6-(cyclohexyliminimethyl) -4-methylphenol]
• Formula: C34 H48 N4 O2
• Calculated formula: C34 H48 N4 O2
• SMILES: Cc1cc(CN2CCN(CC2)Cc2cc(C)cc(c2O)/C=N/C2CCCCC2)c(c(c1)/C=N/C1CCCCC1)O
• Title of publication: 1,4-Bis[3-(<i>N</i>-cyclohexyliminomethyl)-2-hydroxy-5-methylbenzyl]piperazine
• Authors of publication: Thirumurugan, R.; Shanmuga Sundara Raj, S.; Shanmugam, G.; Chinnakali, Kandasamy; Razak, Ibrahim Abdul; Fun, Hoong-Kun; Marappan, M.; Kandaswamy, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 365 - 367
• a: 11.4598 ± 0.001 Å
• b: 12.5892 ± 0.0011 Å
• c: 11.1347 ± 0.0012 Å
• α: 90°
• β: 97.996 ± 0.007°
• γ: 90°
• Cell volume: 1590.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.124
• Weighted residual factors for significantly intense reflections: 0.105
• Goodness-of-fit parameter for all reflections: 0.866
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No