Information card for entry 1517657

Structure parameters

• Formula: C23 H25 N O2
• Calculated formula: C23 H25 N O2
• SMILES: O=C(N(c1c(C(C)(C)C)cccc1)C(=O)C(=C)c1ccccc1)C(=C)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: 9.9249 ± 0.0004 Å
• b: 8.819 ± 0.0003 Å
• c: 11.1611 ± 0.0004 Å
• α: 90°
• β: 105.551 ± 0.002°
• γ: 90°
• Cell volume: 941.14 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0765
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No