Information card for entry 1504911

Structure parameters

• Formula: C13 H18 Cl N O
• Calculated formula: C13 H18 Cl N O
• SMILES: [NH+]12c3ccccc3C[C@H]1[C@@](O)(C)CCC2.[Cl-]
• Title of publication: Electroreductive intramolecular coupling of 1-indolealkanones.
• Authors of publication: Kise, Naoki; Mano, Toshiyuki; Sakurai, Toshihiko
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 20
• Pages of publication: 4617 - 4620
• a: 8.018 ± 0.0005 Å
• b: 10.5735 ± 0.0008 Å
• c: 14.6209 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1239.54 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No