Information card for entry 1517491

Structure parameters

• Formula: C13 H27 N5 O2
• Calculated formula: C13 H27 N5 O2
• SMILES: C1(=O)N(C(=O)N(C(N1CC)(N(C)C)N(C)C)CC)CC
• Title of publication: Thermally cleavable imine base/isocyanate adducts and oligomers suitable as initiators for radical homo- and copolymerization
• Authors of publication: Polenz, I.; Laue, A.; Uhrin, T.; Rüffer, T.; Lang, H.; Schmidt, F. G.; Spange, S.
• Journal of publication: Polym. Chem.
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 23
• Pages of publication: 6678
• a: 12.6187 ± 0.0002 Å
• b: 15.3717 ± 0.0003 Å
• c: 15.8322 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3070.99 ± 0.1 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1341
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No