Information card for entry 7157775

Structure parameters

• Formula: C23 H34 Cl N O2 Si
• Calculated formula: C23 H34 Cl N O2 Si
• SMILES: ClCC1=CCC[C@]2(N(C(=O)C[C@@H]2O[Si](C)(C)C(C)(C)C)Cc2ccccc2)C1
• 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: 12.2886 ± 0.0002 Å
• b: 7.0684 ± 0.0001 Å
• c: 13.9005 ± 0.0002 Å
• α: 90°
• β: 104.496 ± 0.0013°
• γ: 90°
• Cell volume: 1168.97 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections: 0.134
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No