Information card for entry 1557206

Structure parameters

• Formula: C20 H30 N2 O2
• Calculated formula: C20 H30 N2 O2
• SMILES: N(=C\c1c(C(=O)[O-])cccc1)/C1CCCCC1.[NH3+]C1CCCCC1
• Title of publication: n →π* interactions as a versatile tool for controlling dynamic imine chemistry in both organic and aqueous media
• Authors of publication: Chen, Hang; Ye, Hebo; Hai, Yu; Zhang, Ling; You, Lei
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2707 - 2715
• a: 11.012 ± 0.009 Å
• b: 16.138 ± 0.013 Å
• c: 11.225 ± 0.009 Å
• α: 90°
• β: 96.899 ± 0.012°
• γ: 90°
• Cell volume: 1980 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0813
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No