Information card for entry 4028442

Structure parameters

• Formula: C20 H20 Cl3 N O3
• Calculated formula: C20 H20 Cl3 N O3
• SMILES: ClC(Cl)(Cl)C(=O)NC1CCCc2ccc3C(=O)C(=CC(=O)c3c12)C(C)(C)C
• Title of publication: Synthesis of Amino-Substituted Indanes and Tetralins via Consecutive Multibond-Forming Tandem Processes
• Authors of publication: Mark W. Grafton; Louis J. Farrugia; Andrew Sutherland
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 7199 - 7207
• a: 9.5784 ± 0.0004 Å
• b: 12.4773 ± 0.0005 Å
• c: 17.9818 ± 0.0008 Å
• α: 73.87 ± 0.002°
• β: 78.263 ± 0.002°
• γ: 77.712 ± 0.002°
• Cell volume: 1993.18 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No