Information card for entry 7152688

Structure parameters

• Formula: C24 H41 N O2 Si
• Calculated formula: C24 H41 N O2 Si
• SMILES: [Si](C#C/C=C\[C@H]1[C@@]23N(O[C@H]1CCC3)[C@@H](CCC2)CO)(C(C)C)(C(C)C)C(C)C
• 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: 7.7031 ± 0.0003 Å
• b: 9.8991 ± 0.0006 Å
• c: 15.8805 ± 0.0008 Å
• α: 90°
• β: 98.831 ± 0.003°
• γ: 90°
• Cell volume: 1196.59 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No