Information card for entry 1505661

Structure parameters

• Formula: C27 H18 Cl N
• Calculated formula: C27 H18 Cl N
• SMILES: Clc1ccc(cc1)C#C[C@@H](c1c[nH]c2ccccc12)c1cccc2ccccc12
• Title of publication: Remarkable effect of N-substituent on enantioselective ruthenium-catalyzed propargylation of indoles with propargylic alcohols.
• Authors of publication: Matsuzawa, Hiroshi; Kanao, Keiichiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 26
• Pages of publication: 5561 - 5564
• a: 5.881 ± 0.0009 Å
• b: 9.0184 ± 0.0015 Å
• c: 36.938 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1959.1 ± 0.7 ų
• Cell temperature: 103.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No