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Information card for entry 4107020
Preview
Coordinates | 4107020.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H17 N O |
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Calculated formula | C15 H17 N O |
SMILES | O=C1N(c2c(C(C)(C)C)cccc2)[C@H]2[C@@H]1C=C2 |
Title of publication | Light-Induced Enantiospecific 4π Ring Closure of Axially Chiral 2-Pyridones: Enthalpic and Entropic Effects Promoted by H-Bonding |
Authors of publication | Elango Kumarasamy; Josepha L. Jesuraj; Joseph N. Omlid; Angel Ugrinov; Jayaraman Sivaguru |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 17106 - 17109 |
a | 8.5149 ± 0.001 Å |
b | 5.8102 ± 0.0007 Å |
c | 13.3204 ± 0.0016 Å |
α | 90° |
β | 108.261 ± 0.005° |
γ | 90° |
Cell volume | 625.82 ± 0.13 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 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 | 0.0279 |
Residual factor for significantly intense reflections | 0.0277 |
Weighted residual factors for significantly intense reflections | 0.0711 |
Weighted residual factors for all reflections included in the refinement | 0.0714 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4107020.html
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