Information card for entry 1508744

Structure parameters

• Common name: 12168a
• Formula: C17 H28 N2 O6
• Calculated formula: C17 H28 N2 O6
• SMILES: O1C(OCC1)[C@H]1C([C@H]2[C@@H]1CN(N(C2)C(=O)OCC)C(=O)OCC)(C)C.O1C(OCC1)[C@@H]1C([C@@H]2[C@H]1CN(N(C2)C(=O)OCC)C(=O)OCC)(C)C
• Title of publication: Gassman's cationic [2 + 2] cycloadditions using temporary tethers.
• Authors of publication: Deng, Jun; Hsung, Richard P.; Ko, Changhong
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 5562 - 5565
• a: 8.0126 ± 0.001 Å
• b: 10.302 ± 0.0013 Å
• c: 21.98 ± 0.003 Å
• α: 90°
• β: 93.013 ± 0.001°
• γ: 90°
• Cell volume: 1811.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.074
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No