Information card for entry 2005866

Structure parameters

• Chemical name: 1,5-Bis[4,4-dimethyl-1-(4-methylphenyl)-5-(1-piperidinio)-1-penten-3-ylidene]- carbonohydrazide Dichloride Methanol Solvate
• Formula: C40 H62 Cl2 N6 O2
• Calculated formula: C40 H62 Cl2 N6 O2
• Title of publication: 1,5-Bis[4,4-dimethyl-1-(4-methylphenyl)-5-(1-piperidinio)-1-penten-3-ylidene]carbonohydrazide Dichloride Methanol Solvate
• Authors of publication: Yang, J.; Kumar, P.; Dimmock, J. R.; Quail, J. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 140 - 143
• a: 18.0187 ± 0.002 Å
• b: 13.546 ± 0.004 Å
• c: 18.092 ± 0.003 Å
• α: 90°
• β: 115.389 ± 0.012°
• γ: 90°
• Cell volume: 3989.4 ± 1.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for significantly intense reflections: 1.57
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No