Information card for entry 4022881

Structure parameters

• Formula: C22 H19 Cr N O5
• Calculated formula: C22 H19 Cr N O5
• SMILES: [Cr]12345(C#[O])([c]6([cH]4[cH]1[cH]5[c]2([c]36n1c(cc2c1cccc2)C)C1OCCO1)C)(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: 14.681 ± 0.002 Å
• b: 14.7727 ± 0.0019 Å
• c: 37.15 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8057 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1656
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No