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Information card for entry 4119552
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Coordinates | 4119552.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H14 N O3 |
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Calculated formula | C11 H14 N O3 |
Title of publication | Directing Group Enhanced Carbonylative Ring Expansions of Amino-Substituted Cyclopropanes: Rhodium-Catalyzed Multicomponent Synthesis of N-Heterobicyclic Enones |
Authors of publication | Megan H. Shaw; Ekaterina Y. Melikhova; Daniel P. Kloer; William G. Whittingham; John F. Bower |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 4992 - 4995 |
a | 8.0198 ± 0.0014 Å |
b | 8.3657 ± 0.0014 Å |
c | 8.8594 ± 0.0015 Å |
α | 67.972 ± 0.005° |
β | 87.261 ± 0.004° |
γ | 71.917 ± 0.005° |
Cell volume | 522.19 ± 0.16 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0508 |
Residual factor for significantly intense reflections | 0.0495 |
Weighted residual factors for significantly intense reflections | 0.1397 |
Weighted residual factors for all reflections included in the refinement | 0.1411 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4119552.html
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