Information card for entry 4112544

Structure parameters

• Formula: C31 H32 Cl3 N3 O2 Si
• Calculated formula: C31 H32 Cl3 N3 O2 Si
• SMILES: [Si]12([NH+](C)[C@H]([C@@H](O2)c2ccccc2)C)([N](N=C(O1)c1ccccc1)=Cc1ccccc1)c1ccccc1.[Cl-].C(Cl)Cl
• Title of publication: Enantioselective Allylation of Ketone-Derived Benzoylhydrazones: Practical Synthesis of Tertiary Carbinamines
• Authors of publication: Richard Berger; Keiko Duff; James L. Leighton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 5686 - 5687
• a: 8.6822 ± 0.0007 Å
• b: 12.6421 ± 0.0011 Å
• c: 14.2624 ± 0.0013 Å
• α: 90°
• β: 91.29 ± 0.002°
• γ: 90°
• Cell volume: 1565.1 ± 0.2 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 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: 0.049
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No