Information card for entry 1505655

Structure parameters

• Formula: C14 H13 N O3
• Calculated formula: C14 H13 N O3
• SMILES: c1c(c(ccc1O)O)N(c1ccccc1)C(=O)C
• Title of publication: Redox-induced conformational alteration of n,n-diarylamides.
• Authors of publication: Okamoto, Iwao; Yamasaki, Ryu; Sawamura, Mika; Kato, Takako; Nagayama, Naomi; Takeya, Tetsuya; Tamura, Osamu; Masu, Hyuma; Azumaya, Isao; Yamaguchi, Kentaro; Kagechika, Hiroyuki; Tanatani, Aya
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 26
• Pages of publication: 5545 - 5547
• a: 6.3427 ± 0.0001 Å
• b: 11.2959 ± 0.0002 Å
• c: 16.3905 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1174.32 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0593
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1418
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No