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Information card for entry 7213261
Preview
Coordinates | 7213261.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H29 N O2 |
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Calculated formula | C21 H29 N O2 |
SMILES | O=C(N(C(C)C)C(C)C)c1c(ccc2ccccc12)C(O)(C)CC |
Title of publication | Atroposelective attack of nucleophiles and electrophiles on 2-acyl-1-naphthamides and their enolates |
Authors of publication | Clayden, Jonathan; Westlund, Neil; Beddoes, Roy L.; Helliwell, Madeleine |
Journal of publication | Journal of the Chemical Society, Perkin Transactions 1 |
Year of publication | 2000 |
Journal issue | 9 |
Pages of publication | 1351 |
a | 12.404 ± 0.001 Å |
b | 19.6149 ± 0.0008 Å |
c | 16.222 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3946.9 ± 0.6 Å3 |
Cell temperature | 293.2 K |
Ambient diffraction temperature | 293.2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0844 |
Residual factor for significantly intense reflections | 0.0569 |
Weighted residual factors for all reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.0454 |
Goodness-of-fit parameter for all reflections | 2.669 |
Goodness-of-fit parameter for significantly intense reflections | 3.098 |
Diffraction radiation wavelength | 1.5418 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/7213261.html
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