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Information card for entry 4021645
Preview
Coordinates | 4021645.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H31 N O3 |
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Calculated formula | C24 H31 N O3 |
SMILES | O1N=C([C@H]([C@@H]1C12CC3CC(C1)CC(C2)C3)C(=O)OC)c1c(cc(cc1C)C)C.O1N=C([C@@H]([C@H]1C12CC3CC(C1)CC(C2)C3)C(=O)OC)c1c(cc(cc1C)C)C |
Title of publication | 4-Alkoxycarbonyl- and Aminocarbonyl-Substituted Isoxazoles as Masked Acrylates and Acrylamides in the Asymmetric Synthesis of Δ^2^-Isoxazolines |
Authors of publication | Connie K. Y. Lee; Anthony J. Herlt; Gregory W. Simpson; Anthony C. Willis; Christopher J. Easton |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 3221 - 3231 |
a | 6.4005 ± 0.0002 Å |
b | 9.6092 ± 0.0003 Å |
c | 16.9445 ± 0.0007 Å |
α | 97.81 ± 0.001° |
β | 93.968 ± 0.001° |
γ | 91.459 ± 0.003° |
Cell volume | 1029.37 ± 0.06 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 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 | 0.0992 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for all reflections | 0.0539 |
Weighted residual factors for all reflections included in the refinement | 0.0426 |
Goodness-of-fit parameter for all reflections | 0.93 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4021645.html
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