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Information card for entry 4108127
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4108127.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H13 N O |
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Calculated formula | C15 H13 N O |
SMILES | O[C@](C#Cc1ccccc1)(C)c1ncccc1 |
Title of publication | Aluminum-Catalyzed Asymmetric Alkylations of Pyridyl-Substituted Alkynyl Ketones with Dialkylzinc Reagents |
Authors of publication | Donna K. Friel; Marc L. Snapper; Amir H. Hoveyda |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 9942 - 9951 |
a | 9.3494 ± 0.0002 Å |
b | 9.6354 ± 0.0002 Å |
c | 13.2387 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1192.61 ± 0.04 Å3 |
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 | 0.0262 |
Residual factor for significantly intense reflections | 0.026 |
Weighted residual factors for significantly intense reflections | 0.0663 |
Weighted residual factors for all reflections included in the refinement | 0.0666 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4108127.html
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Users of the data should acknowledge the original authors of the
structural data.