Information card for entry 1560134

Structure parameters

• Formula: C17 H20 Cl N O
• Calculated formula: C17 H20 Cl N O
• SMILES: Clc1c2cc(OC)ccc2n2c1[C@@H](C=CC2)CCCC
• Title of publication: Asymmetric construction of pyrido[1,2-<i>a</i>]-1<i>H</i>-indole derivatives <i>via</i> a gold-catalyzed cycloisomerization.
• Authors of publication: Jiang, Feng; Fu, Chunling; Ma, Shengming
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 696 - 701
• a: 10.4093 ± 0.0008 Å
• b: 6.0139 ± 0.0004 Å
• c: 12.2223 ± 0.001 Å
• α: 90°
• β: 100.849 ± 0.003°
• γ: 90°
• Cell volume: 751.45 ± 0.1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.0272
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0635
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No