Information card for entry 1515737

Structure parameters

• Formula: C19 H27 N O
• Calculated formula: C19 H27 N O
• SMILES: O=C(N(c1c(C(C)(C)C)cccc1)C1CCCC1)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: 11.2894 ± 0.0003 Å
• b: 8.7386 ± 0.0002 Å
• c: 17.1678 ± 0.0004 Å
• α: 90°
• β: 105.623 ± 0.001°
• γ: 90°
• Cell volume: 1631.09 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0371
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No