Information card for entry 1555245

Structure parameters

• Formula: C21 H19 Cl O3
• Calculated formula: C21 H19 Cl O3
• Title of publication: Ligand and counteranion enabled regiodivergent C-H bond functionalization of naphthols with α-aryl-α-diazoesters.
• Authors of publication: Yu, Zhunzhun; Li, Yongfeng; Zhang, Peichao; Liu, Lu; Zhang, Junliang
• Journal of publication: Chemical science
• Year of publication: 2019
• Journal volume: 10
• Journal issue: 26
• Pages of publication: 6553 - 6559
• a: 20.4519 ± 0.001 Å
• b: 8.3981 ± 0.0004 Å
• c: 29.0733 ± 0.0012 Å
• α: 90°
• β: 133.17 ± 0.002°
• γ: 90°
• Cell volume: 3641.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0813
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No