Information card for entry 4022882

Structure parameters

• Formula: C22 H19 Cr N O5
• Calculated formula: C22 H19 Cr N O5
• SMILES: [Cr]12345([cH]6[cH]1[cH]2[cH]3[c]14[c]56C=C(N1c1c(cccc1C)C1OCCO1)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: 16.371 ± 0.003 Å
• b: 7.3063 ± 0.0012 Å
• c: 17.618 ± 0.003 Å
• α: 90°
• β: 108.702 ± 0.008°
• γ: 90°
• Cell volume: 1996 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0993
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No