Information card for entry 1513443

Structure parameters

• Formula: C24 H32 N O2.5 S Si
• Calculated formula: C24 H32 N O2.5 S Si
• SMILES: [C@H]1(c2c3ccccc3ccc2C2=C(C(=O)C[C@H]2C1)[Si](C)(C)C)NS(C(C)(C)C)=O.O
• Title of publication: Asymmetric allylation/Pauson-Khand reaction: a simple entry to polycyclic amines. Application to the synthesis of aminosteroid analogues
• Authors of publication: Fustero, Santos; Lázaro, Rubén; Aiguabella, Nuria; Riera, Antoni; Simón-Fuentes, Antonio; Barrio, Pablo
• Journal of publication: Organic Letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 4
• Pages of publication: 1224 - 1227
• a: 15.6508 ± 0.0006 Å
• b: 6.3555 ± 0.0003 Å
• c: 24.6704 ± 0.0012 Å
• α: 90°
• β: 101.826 ± 0.002°
• γ: 90°
• Cell volume: 2401.85 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.042
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No