Information card for entry 1557207

Structure parameters

• Formula: C19 H29 N3 O2
• Calculated formula: C19 H29 N3 O2
• SMILES: [NH3+]C1CCCCC1.N(=C\c1ncccc1C(=O)[O-])/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: 17.03 ± 0.02 Å
• b: 10.58 ± 0.01 Å
• c: 22.26 ± 0.04 Å
• α: 90°
• β: 103.23 ± 0.03°
• γ: 90°
• Cell volume: 3904 ± 9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1482
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2275
• Weighted residual factors for all reflections included in the refinement: 0.2777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No