Information card for entry 1505654

Structure parameters

• Formula: C16 H17 N O3
• Calculated formula: C16 H17 N O3
• SMILES: O=C(N(c1c(OC)ccc(OC)c1)c1ccccc1)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: 8.9486 ± 0.0017 Å
• b: 13.132 ± 0.003 Å
• c: 12.841 ± 0.003 Å
• α: 90°
• β: 109.123 ± 0.003°
• γ: 90°
• Cell volume: 1425.7 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• 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: 0.0771
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No