Information card for entry 4036769

Structure parameters

• Formula: C13 H15 Cl N2 O3
• Calculated formula: C13 H15 Cl N2 O3
• SMILES: Clc1ccc([C@H]2[C@](C(=O)NC2)(C(=O)OC)CN)cc1.Clc1ccc([C@@H]2[C@@](C(=O)NC2)(C(=O)OC)CN)cc1
• Title of publication: Striking Difference between Succinimidomethyl and Phthalimidomethyl Radicals in Conjugate Addition to Alkylidenemalonate Initiated by Dimethylzinc.
• Authors of publication: Yamada, Ken-Ichi; Matsumoto, Yusuke; Fujii, Shintaro; Konishi, Takehito; Yamaoka, Yousuke; Takasu, Kiyosei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 9
• Pages of publication: 3809 - 3817
• a: 13.361 ± 0.008 Å
• b: 11.884 ± 0.009 Å
• c: 8.306 ± 0.007 Å
• α: 90°
• β: 90.21 ± 0.015°
• γ: 90°
• Cell volume: 1318.8 ± 1.7 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• 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: 0.0365
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No