Information card for entry 1554948

Structure parameters

• Formula: C24 H24 Cl N O
• Calculated formula: C24 H24 Cl N O
• SMILES: Clc1c2C(NC(C)(C)C)C(Oc2ccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of substituted dihydrobenzofurans via tandem S(N)Ar/5-exo-trig cyclization.
• Authors of publication: Koy, Maximilian; Engle, Keary M.; Henling, Lawrence M.; Takase, Michael K.; Grubbs, Robert H.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 1986 - 1989
• a: 16.3879 ± 0.0009 Å
• b: 7.0026 ± 0.0004 Å
• c: 17.8667 ± 0.001 Å
• α: 90°
• β: 103.718 ± 0.003°
• γ: 90°
• Cell volume: 1991.86 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.703
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No