Information card for entry 4306421

Structure parameters

• Common name: 2-NHC(O)norbornenyl
• Formula: C30 H33 N O7
• Calculated formula: C30 H33 N O7
• SMILES: O1CCOc2cccc3C(=O)c4cccc(c4C(c23)NC(=O)[C@H]2C[C@H]3C=C[C@@H]2C3)OCCOCCOCC1.O1CCOc2cccc3C(=O)c4cccc(c4C(c23)NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)OCCOCCOCC1
• Title of publication: Large Amplitude, Proton- and Cation-Activated Latch-Type Mechanical Switches: O-Protonated Amides Stabilized by Intramolecular, Low-Barrier Hydrogen Bonds within Macrocycles
• Authors of publication: Mariappan Kadarkaraisamy; Gerald Caple; Andrea R. Gorden; Marie A. Squire; Andrew G. Sykes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11644 - 11655
• a: 9.6314 ± 0.0017 Å
• b: 17.223 ± 0.003 Å
• c: 25.03 ± 0.006 Å
• α: 104.345 ± 0.003°
• β: 93.238 ± 0.003°
• γ: 105.859 ± 0.002°
• Cell volume: 3834.9 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1348
• Residual factor for significantly intense reflections: 0.1071
• Weighted residual factors for significantly intense reflections: 0.2706
• Weighted residual factors for all reflections included in the refinement: 0.2943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No