Information card for entry 1505855

Structure parameters

• Formula: C21 H17 Cr N O5
• Calculated formula: C21 H17 Cr N O6
• SMILES: [Cr]12345([c]6(n7ccc8ccccc78)[c]1([cH]2[cH]3[cH]4[c]56C)C1OCCO1)(C#[O])(C#[O])C#[O].O
• Title of publication: Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles.
• Authors of publication: Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 1097 - 1100
• a: 7.72 ± 0.02 Å
• b: 26.56 ± 0.08 Å
• c: 9.43 ± 0.04 Å
• α: 90°
• β: 89.8 ± 0.2°
• γ: 90°
• Cell volume: 1934 ± 11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1976
• Residual factor for significantly intense reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.2551
• Weighted residual factors for all reflections included in the refinement: 0.3137
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No