Information card for entry 1503589

Structure parameters

• Formula: C22 H15 Cl N2 O3
• Calculated formula: C22 H15 Cl N2 O3
• SMILES: Clc1c(C(O)c2c(c3nc4ccccc4cc3)cccc2)ccc(N(=O)=O)c1
• Title of publication: N-Directing group assisted rhodium-catalyzed aryl C-H addition to aryl aldehydes.
• Authors of publication: Li, Yang; Zhang, Xi-Sha; Chen, Kang; He, Ke-Han; Pan, Fei; Li, Bi-Jie; Shi, Zhang-Jie
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 636 - 639
• a: 6.6099 ± 0.0013 Å
• b: 10.144 ± 0.002 Å
• c: 14.147 ± 0.003 Å
• α: 102.26 ± 0.03°
• β: 92.21 ± 0.03°
• γ: 99.96 ± 0.03°
• Cell volume: 910.2 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0558
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No