Information card for entry 7152687

Structure parameters

• Formula: C33 H44 Cl N O2 Si
• Calculated formula: C33 H44 Cl N O2 Si
• SMILES: [Cl-].[NH+]12CCCC[C@@]1(C[C@H](O2)c1ccccc1)CCCCO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1.[Cl-].[NH+]12CCCC[C@]1(C[C@@H](O2)c1ccccc1)CCCCO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Intramolecular nitrone dipolar cycloadditions: control of regioselectivity and synthesis of naturally-occurring spirocyclic alkaloids.
• Authors of publication: Hodges, Alastair J.; Adams, Joseph P.; Bond, Andrew D.; Holmes, Andrew B.; Press, Neil J.; Roughley, Stephen D.; Ryan, John H.; Saubern, Simon; Smith, Catherine J.; Turnbull, Michael D.; Newton, Annabella F.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 45
• Pages of publication: 8963 - 8974
• a: 11.7549 ± 0.0006 Å
• b: 13.7175 ± 0.0009 Å
• c: 20.1662 ± 0.0013 Å
• α: 84.294 ± 0.003°
• β: 75.25 ± 0.004°
• γ: 89.894 ± 0.004°
• Cell volume: 3128.1 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1677
• Weighted residual factors for all reflections included in the refinement: 0.1828
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No