Information card for entry 2226165

Structure parameters

• Chemical name: 1-[2,4,6-Trimethyl-3,5-bis(4-oxopiperidin-1-ylmethyl)benzyl]piperidin-4-one
• Formula: C27 H39 N3 O3
• Calculated formula: C27 H39 N3 O3
• SMILES: O=C1CCN(Cc2c(c(c(c(c2C)CN2CCC(=O)CC2)C)CN2CCC(=O)CC2)C)CC1
• Title of publication: 1-[2,4,6-Trimethyl-3,5-bis(4-oxopiperidin-1-ylmethyl)benzyl]piperidin-4-one
• Authors of publication: Rajesh, K.; Vijayakumar, V.; Sarveswari, S.; Narasimhamurthy, T.; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1306 - o1307
• a: 7.9315 ± 0.0016 Å
• b: 12.449 ± 0.003 Å
• c: 14.618 ± 0.003 Å
• α: 67.641 ± 0.003°
• β: 87.749 ± 0.004°
• γ: 73.63 ± 0.003°
• Cell volume: 1277 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0921
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1617
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes