Information card for entry 1515736

Structure parameters

• Formula: C17 H25 N O
• Calculated formula: C17 H25 N O
• SMILES: N(C(=O)C(=C)C)(c1c(C(C)(C)C)cccc1)C(C)C
• Title of publication: Enantiospecific 6π-photocyclization of atropisomeric α-substituted acrylanilides in the solid-state: role of crystalline confinement on enantiospecificity.
• Authors of publication: Ayitou, Anoklase Jean-Luc; Vallavoju, Nandini; Ugrinov, Angel; Sivaguru, J.
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2011
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1380 - 1383
• a: 8.7219 ± 0.0013 Å
• b: 14.862 ± 0.002 Å
• c: 12.6513 ± 0.0018 Å
• α: 90°
• β: 99.836 ± 0.002°
• γ: 90°
• Cell volume: 1615.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No