Information card for entry 1554944

Structure parameters

• Formula: C24 H24 Cl N O
• Calculated formula: C24 H24 Cl N O
• SMILES: Clc1c(O)c(C(=C(c2ccccc2)c2ccccc2)NC(C)(C)C)ccc1
• 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: 12.0241 ± 0.0005 Å
• b: 10.8634 ± 0.0004 Å
• c: 15.0306 ± 0.0006 Å
• α: 90°
• β: 92.829 ± 0.002°
• γ: 90°
• Cell volume: 1960.94 ± 0.13 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No