Information card for entry 1549423

Structure parameters

• Formula: C18 H17 N Na O5
• Calculated formula: C18 H16 N Na O5
• SMILES: [C@H]12[C@H]3[C@@H]([C@H](C=C1)C2)C(=O)N(C3=O)[C@@H](C(=O)[O-])Cc1ccccc1.[Na+].O
• Title of publication: Norbornene chaotropic salts as low molecular mass ionic organogelators (LMIOGs).
• Authors of publication: Engstrom, Jordan R.; Savyasachi, Aramballi J.; Parhizkar, Marzieh; Sutti, Alessandra; Hawes, Chris S.; White, Jonathan M.; Gunnlaugsson, Thorfinnur; Pfeffer, Frederick M.
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 23
• Pages of publication: 5233 - 5241
• a: 20.8091 ± 0.001 Å
• b: 20.8091 ± 0.001 Å
• c: 6.5883 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2470.6 ± 0.2 ų
• Cell temperature: 130.01 ± 0.1 K
• Ambient diffraction temperature: 130.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No