Information card for entry 1515957

Structure parameters

• Formula: C19 H29 N O
• Calculated formula: C19 H29 N O
• Title of publication: 6pi-Photocyclization of O-tert-butylacrylanilides. N-substitution dictates the regiochemistry of cyclization.
• Authors of publication: Ayitou, Anoklase Jean-Luc; 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: 2009
• Journal volume: 8
• Journal issue: 6
• Pages of publication: 751 - 754
• a: 11.073 ± 0.01 Å
• b: 14.119 ± 0.013 Å
• c: 14.351 ± 0.013 Å
• α: 115.446 ± 0.014°
• β: 96.908 ± 0.016°
• γ: 107.764 ± 0.015°
• Cell volume: 1845 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1161
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.2523
• Weighted residual factors for all reflections included in the refinement: 0.2864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No