Information card for entry 7121698

Structure parameters

• Formula: C22 H24 N2 O2
• Calculated formula: C22 H24 N2 O2
• Title of publication: Nucleophilic addition of tertiary propargylic amines to arynes followed by a [2,3]-sigmatropic rearrangement.
• Authors of publication: Zhou, Meng-Guang; Dai, Rui-Han; Tian, Shi-Kai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 47
• Pages of publication: 6036 - 6039
• a: 14.8982 ± 0.0002 Å
• b: 5.9496 ± 0.0001 Å
• c: 21.2447 ± 0.0003 Å
• α: 90°
• β: 97.139 ± 0.001°
• γ: 90°
• Cell volume: 1868.5 ± 0.05 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• 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: 0.0684
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.1895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No