Information card for entry 1556160

Structure parameters

• Common name: oxindole with methylene chloride solvate
• Formula: C23 H35 Cl2 F N2 O3 Si
• Calculated formula: C23 H35 Cl2 F N2 O3 Si
• SMILES: C1(=O)[C@@]2(c3c(N1C)ccc(F)c3)NC(=O)O[C@@H](C2)C[Si](C(C)C)(C(C)C)C(C)C.ClCCl.C1(=O)[C@]2(c3c(N1C)ccc(F)c3)NC(=O)O[C@H](C2)C[Si](C(C)C)(C(C)C)C(C)C.ClCCl
• Title of publication: Synthesis of spirocarbamate oxindoles via intramolecular trapping of a β-silyl carbocation by an N-Boc group.
• Authors of publication: Shupe, Benjamin H.; Allen, Emily E.; MacDonald, Jacob P.; Wilson, Sean O.; Franz, Annaliese K.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 13
• Pages of publication: 3218 - 3221
• a: 9.2544 ± 0.0006 Å
• b: 10.1036 ± 0.0007 Å
• c: 14.037 ± 0.001 Å
• α: 89.263 ± 0.001°
• β: 76.663 ± 0.001°
• γ: 84.842 ± 0.001°
• Cell volume: 1271.89 ± 0.15 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No