Information card for entry 1565577

Structure parameters

• Formula: C30 H21 N3 O3
• Calculated formula: C30 H21 N3 O3
• SMILES: O=c1n(N(C(=O)/C=C/c2ccccc2)C(=O)c2ccccc2)c(nc2ccccc12)c1ccccc1
• Title of publication: Asymmetric synthesis of N-N axially chiral compounds <i>via</i> organocatalytic atroposelective <i>N</i>-acylation.
• Authors of publication: Lin, Wei; Zhao, Qun; Li, Yao; Pan, Ming; Yang, Chen; Yang, Guo-Hui; Li, Xin
• Journal of publication: Chemical science
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 141 - 148
• a: 9.6587 ± 0.0001 Å
• b: 11.5335 ± 0.0001 Å
• c: 12.4216 ± 0.0001 Å
• α: 114.357 ± 0.001°
• β: 102.222 ± 0.001°
• γ: 94.593 ± 0.001°
• Cell volume: 1210.05 ± 0.02 ų
• Cell temperature: 294.15 K
• Ambient diffraction temperature: 294.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0472
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No