Information card for entry 7109063

Structure parameters

• Formula: C24 H22 Cl N
• Calculated formula: C24 H22 Cl N
• SMILES: Clc1ccc(/C=C/[C@H]2N(Cc3c2cccc3)c2ccc(c(c2)C)C)cc1
• Title of publication: Palladium-catalyzed insertion of N-tosylhydrazones for the synthesis of isoindolines
• Authors of publication: Ping-Xin Zhou; Jian-Yi Luo; Lian-Biao Zhao; Yu-Ying Ye; Yong-Min Liang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3254
• a: 30.0639 ± 0.0018 Å
• b: 6.1724 ± 0.0003 Å
• c: 21.5055 ± 0.0016 Å
• α: 90°
• β: 104.784 ± 0.006°
• γ: 90°
• Cell volume: 3858.6 ± 0.4 ų
• Cell temperature: 290.3 ± 0.2 K
• Ambient diffraction temperature: 290.3 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0971
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No