Information card for entry 1549898

Structure parameters

• Chemical name: 1,1'-[(2,3,5,6-Tetramethyl-1,4-phenylene)bis(methylene)]dipiperidine
• Formula: C22 H36 N2
• Calculated formula: C22 H36 N2
• SMILES: N1(CCCCC1)Cc1c(C)c(c(CN2CCCCC2)c(c1C)C)C
• Title of publication: 1,1'-[(2,3,5,6-Tetramethyl-1,4-phenylene)bis(methylene)]dipiperidine
• Authors of publication: Grace, P. Selvarathy; Nirmalram, Jeyaraman Selvaraj; Nayagam, B. Ravindran Durai; Schollmeyer, Dieter
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 9
• Pages of publication: x181237
• a: 5.6271 ± 0.0004 Å
• b: 21.1764 ± 0.0014 Å
• c: 8.2787 ± 0.0005 Å
• α: 90°
• β: 105.86 ± 0.002°
• γ: 90°
• Cell volume: 948.95 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• 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: 0.059
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes