Information card for entry 1544167

Structure parameters

• Formula: C22 H16 Cl N O2
• Calculated formula: C22 H16 Cl N O2
• SMILES: Clc1ccc(c2c3c(n(c(=O)c2c2ccc(O)cc2)C)cccc3)cc1
• Title of publication: Metathesis Reaction of Diazo Compounds and para-Quinone Methides for C-C Double Bond Formation: Synthesis of Tetrasubstituted Alkenes and Quinolinones.
• Authors of publication: Huang, Bo; Shen, Yangyong; Mao, Zhenjun; Liu, Yu; Cui, Sunliang
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 19
• Pages of publication: 4888 - 4891
• a: 13.002 ± 0.004 Å
• b: 10.771 ± 0.004 Å
• c: 13.596 ± 0.004 Å
• α: 90°
• β: 109.47 ± 0.005°
• γ: 90°
• Cell volume: 1795.2 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No