Information card for entry 1504417

Structure parameters

• Formula: C27 H42 N2 O6
• Calculated formula: C27 H42 N2 O6
• SMILES: O=C(OC1CC([N](=O)C(C1)(C)C)(C)C)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)OC1CC([N](=O)C(C1)(C)C)(C)C
• Title of publication: Synthesis, Characterization, and Charge/Discharge Properties of Polynorbornenes Carrying 2,2,6,6-Tetramethylpiperidine-1-oxy Radicals at High Density
• Authors of publication: Katsumata, Toru; Qu, Jinqing; Shiotsuki, Masashi; Satoh, Masaharu; Wada, Jun; Igarashi, Jun; Mizoguchi, Kenji; Masuda, Toshio
• Journal of publication: Macromolecules
• Year of publication: 2008
• Journal volume: 41
• Journal issue: 4
• Pages of publication: 1175
• a: 12.127 ± 0.005 Å
• b: 20.474 ± 0.006 Å
• c: 10.506 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2608.5 ± 1.7 ų
• Cell temperature: 113.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No