Information card for entry 1554539

Structure parameters

• Formula: C34 H44 N2 O Si
• Calculated formula: C34 H44 N2 O Si
• SMILES: [Si](C#Cc1c(C(C(=O)Nc2cccc3cccnc23)C2CCCCC2)cccc1)(C(C)C)(C(C)C)C(C)C
• Title of publication: Room-temperature Pd(ii)-catalyzed direct C‒H TIPS-ethynylation of phenylacetic amides with terminal alkynes
• Authors of publication: Chen, Cui-Hong; Chai, Yun; Zhou, Zheng-Xin; Rao, Wei-Hao; Liu, Bin; Liu, Li; Xu, Ran; Liu, Yue-Jin; Zeng, Ming-Hua
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 442
• a: 8.8134 ± 0.0002 Å
• b: 10.3559 ± 0.0003 Å
• c: 18.035 ± 0.0004 Å
• α: 100.993 ± 0.002°
• β: 95.022 ± 0.002°
• γ: 92.933 ± 0.002°
• Cell volume: 1605.78 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.0943
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.2634
• Weighted residual factors for all reflections included in the refinement: 0.2881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.199
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No