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Information card for entry 4107444
Preview
Coordinates | 4107444.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H27 N O4 |
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Calculated formula | C14 H27 N O4 |
SMILES | N1([C@H](COC1(C)C)[C@@](C)(CC)O)C(=O)OC(C)(C)C |
Title of publication | Evolution of the Total Syntheses of Ustiloxin Natural Products and Their Analogues |
Authors of publication | Pixu Li; Cory D. Evans; Yongzhong Wu; Bin Cao; Ernest Hamel; Madeleine M. Joullié |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 2351 - 2364 |
a | 10.6012 ± 0.0001 Å |
b | 14.8549 ± 0.0002 Å |
c | 10.5616 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1663.24 ± 0.03 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.0776 |
Residual factor for significantly intense reflections | 0.0704 |
Weighted residual factors for all reflections | 0.2051 |
Weighted residual factors for significantly intense reflections | 0.1977 |
Goodness-of-fit parameter for all reflections | 1.117 |
Goodness-of-fit parameter for significantly intense reflections | 1.152 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
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/4107444.html
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Users of the data should acknowledge the original authors of the
structural data.