Information card for entry 1515738

Structure parameters

• Formula: C20 H29 N O
• Calculated formula: C20 H29 N O
• SMILES: O=C(N(C1CCCCC1)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: 8.7688 ± 0.001 Å
• b: 11.3647 ± 0.0014 Å
• c: 17.512 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1745.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0266
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No