Information card for entry 7156618

Structure parameters

• Formula: C21 H16 N2 O2
• Calculated formula: C21 H16 N2 O2
• Title of publication: Platinum(ii)-catalyzed selective para C-H alkoxylation of arylamines through a coordinating activation strategy.
• Authors of publication: Shen, Jiabin; Xu, Jun; Cai, Heng; Shen, Chao; Zhang, Pengfei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 490 - 497
• a: 6.1601 ± 0.0007 Å
• b: 16.0224 ± 0.0018 Å
• c: 16.6437 ± 0.0019 Å
• α: 90°
• β: 99.193 ± 0.002°
• γ: 90°
• Cell volume: 1621.6 ± 0.3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.0662
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No