Information card for entry 1508743

Structure parameters

• Common name: 12099a
• Formula: C14 H23 N O5
• Calculated formula: C14 H23 N O5
• SMILES: O1N(C[C@H]2[C@@H](C1)[C@@H](C2(C)C)C1OCCO1)C(=O)OCC.O1N(C[C@@H]2[C@H](C1)[C@H](C2(C)C)C1OCCO1)C(=O)OCC
• 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: 6.2528 ± 0.0006 Å
• b: 9.4257 ± 0.0009 Å
• c: 13.6643 ± 0.0014 Å
• α: 104.187 ± 0.001°
• β: 101.932 ± 0.001°
• γ: 102.161 ± 0.001°
• Cell volume: 734.34 ± 0.12 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: 0.0557
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No