Information card for entry 7207690

Structure parameters

• Formula: C15 H33 N3
• Calculated formula: C15 H33 N3
• SMILES: CN(C)CC1CC(CC(C1)CN(C)C)CN(C)C
• Title of publication: Design, synthesis, and solution behaviour of small polyamines as switchable water additives
• Authors of publication: Mercer, Sean M.; Robert, Tobias; Dixon, Daniel V.; Chen, Chien-Shun; Ghoshouni, Zahra; Harjani, Jitendra R.; Jahangiri, Soran; Peslherbe, Gilles H.; Jessop, Philip G.
• Journal of publication: Green Chemistry
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 832
• a: 10.3969 ± 0.0004 Å
• b: 10.3969 ± 0.0004 Å
• c: 28.4886 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2666.9 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No