Information card for entry 7157778

Structure parameters

• Formula: C23 H35 Cl F N O2 Si
• Calculated formula: C23 H35 Cl F N O2 Si
• SMILES: ClC[C@]1(F)C[C@]2(N(C(=O)C[C@@H]2O[Si](C)(C)C(C)(C)C)Cc2ccccc2)CCC1
• Title of publication: Synthesis of spirocyclic heterocycles from α,β-unsaturated <i>N</i>-acyliminium ions.
• Authors of publication: Thaima, Thanphat; Yazici, Arife; Auranwiwat, Chiramet; Willis, Anthony C.; Wille, Uta; Limtharakul, Thunwadee; Pyne, Stephen G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2021
• Journal volume: 19
• Journal issue: 1
• Pages of publication: 259 - 272
• a: 7.702 ± 0.0001 Å
• b: 11.2053 ± 0.0002 Å
• c: 14.0796 ± 0.0002 Å
• α: 90°
• β: 90.9742 ± 0.0014°
• γ: 90°
• Cell volume: 1214.94 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections: 0.1395
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No