Information card for entry 4022883

Structure parameters

• Formula: C24 H27 Cr N O3 Si
• Calculated formula: C24 H24 Cr N O3 Si
• SMILES: [Cr]12345([c]6(n7c([Si](CC)(CC)CC)cc8ccccc78)[c]1([cH]2[cH]3[cH]4[cH]56)C)(C#[O])(C#[O])C#[O]
• Title of publication: Stereoselective Synthesis of Both Enantiomers of N-Aryl Indoles with Axially Chiral N-C Bonds
• Authors of publication: Ken Kamikawa; Shunsuke Kinoshita; Masaru Furusyo; Shin Takemoto; Hiroyuki Matsuzaka; Motokazu Uemura
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2007
• Journal volume: 72
• Pages of publication: 3394 - 3402
• a: 10.906 ± 0.005 Å
• b: 7.759 ± 0.003 Å
• c: 14.372 ± 0.009 Å
• α: 90°
• β: 107.04 ± 0.02°
• γ: 90°
• Cell volume: 1162.9 ± 0.1 ų
• Cell temperature: 296.1 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 significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.522
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No