Information card for entry 1518694

Structure parameters

• Formula: C22 H20 N2
• Calculated formula: C22 H20 N2
• SMILES: [C@H]1(c2ccccc2)N(C[C@H]2[C@H](c3ccccc3)N12)c1ccccc1.[C@@H]1(c2ccccc2)N(C[C@@H]2[C@@H](c3ccccc3)N12)c1ccccc1
• Title of publication: Diastereoselective Aminooxygenation and Diamination of Alkenes with Amidines by Hypervalent Iodine(III) Reagents.
• Authors of publication: Chen, Hui; Kaga, Atsushi; Chiba, Shunsuke
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 23
• Pages of publication: 6136
• a: 31.6185 ± 0.0016 Å
• b: 5.5769 ± 0.0003 Å
• c: 18.4042 ± 0.0008 Å
• α: 90°
• β: 93.168 ± 0.002°
• γ: 90°
• Cell volume: 3240.3 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1427
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No