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Information card for entry 4121004
Preview
Coordinates | 4121004.cif |
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Original paper (by DOI) | HTML |
Formula | C27 H19 N O2 |
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Calculated formula | C27 H19 N O2 |
SMILES | O1c2cc(c3c(c4nccc5c4cccc5)c4c(cc3)cccc4)ccc2OCC1 |
Title of publication | Dynamic Kinetic Cross-Coupling Strategy for the Asymmetric Synthesis of Axially Chiral Heterobiaryls |
Authors of publication | Abel Ros; Beatriz Estepa; Pedro Ramírez-López; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 15730 - 15733 |
a | 9.4525 ± 0.0003 Å |
b | 9.9174 ± 0.0003 Å |
c | 11.0529 ± 0.0003 Å |
α | 76.636 ± 0.002° |
β | 74.816 ± 0.001° |
γ | 82.599 ± 0.001° |
Cell volume | 970.32 ± 0.05 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0256 |
Residual factor for significantly intense reflections | 0.0254 |
Weighted residual factors for significantly intense reflections | 0.0673 |
Weighted residual factors for all reflections included in the refinement | 0.0675 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/4121004.html
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