Information card for entry 1517659

Structure parameters

• Formula: C19 H17 N O2
• Calculated formula: C19 H17 N O2
• SMILES: O=C1N(c2ccccc2)C(=O)C2(c3ccccc3)CC1(C2)C
• Title of publication: Dictating photoreactivity through restricted bond rotations: cross-photoaddition of atropisomeric acrylimide derivatives under UV/visible-light irradiation.
• Authors of publication: Iyer, Akila; Jockusch, Steffen; Sivaguru, J.
• Journal of publication: The journal of physical chemistry. A
• Year of publication: 2014
• Journal volume: 118
• Journal issue: 45
• Pages of publication: 10596 - 10602
• a: 5.6485 ± 0.0002 Å
• b: 11.8378 ± 0.0003 Å
• c: 21.6295 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1446.27 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.01 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: 0.032
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No