Information card for entry 1507461

Structure parameters

• Formula: C19 H18 Cl3 N O2
• Calculated formula: C19 H18 Cl3 N O2
• SMILES: Clc1c(cc(Cl)cc1Cl)[C@H]1N(O[C@@H]2[C@@]1(CO)CCC2)c1ccccc1
• Title of publication: Enantioselective 1,3-Dipolar Cycloaddition of Nitrones Catalyzed by Optically Active Cationic Cobalt(III) Complexes
• Authors of publication: Mita, Tsuyoshi; Ohtsuki, Natsuki; Ikeno, Taketo; Yamada, Tohru
• Journal of publication: Organic Letters
• Year of publication: 2002
• Journal volume: 4
• Journal issue: 15
• Pages of publication: 2457
• a: 12.36 ± 0.004 Å
• b: 13.93 ± 0.01 Å
• c: 10.496 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1807 ± 2 ų
• Cell temperature: 298 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No