Information card for entry 1513398

Structure parameters

• Common name: 3a
• Formula: C19 H16 N2 O2
• Calculated formula: C19 H16 N2 O2
• SMILES: O(C(=O)Nc1c(c2ccccn2)cccc1)Cc1ccccc1
• Title of publication: Rh(III)-Catalyzed C-H Amidation with N-Hydroxycarbamates: A New Entry to N-Carbamate-Protected Arylamines.
• Authors of publication: Zhou, Bing; Du, Juanjuan; Yang, Yaxi; Feng, Huijin; Li, Yuanchao
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 2
• Pages of publication: 592 - 595
• a: 5.5837 ± 0.0013 Å
• b: 9.0762 ± 0.0017 Å
• c: 31.477 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1595.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1354
• Residual factor for significantly intense reflections: 0.0563
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No