Information card for entry 7055986

Structure parameters

• Formula: C27 H37 N7 O2
• Calculated formula: C27 H37 N7 O2
• SMILES: O=C([O-])C.C1(c2ccc[nH]2)N(CC(CN1Cc1ccc[nH]1)(C)C[NH2+]Cc1ccc[nH]1)Cc1ccc[nH]1
• Title of publication: Efficient and selective separation of aqueous sulfate through recognition and precipitation
• Authors of publication: Ke, Ya-Ting; Chou, Wei-Tzu; Chiang, Yi-Fen; Hsieh, Chang-Chih; Horng, Yih-Chern
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 6
• Pages of publication: 2249
• a: 12.605 ± 0.003 Å
• b: 16.671 ± 0.004 Å
• c: 13.147 ± 0.003 Å
• α: 90°
• β: 99.243 ± 0.013°
• γ: 90°
• Cell volume: 2726.8 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No