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Information card for entry 4122698
Preview
Coordinates | 4122698.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H27 N O5 |
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Calculated formula | C18 H27 N O5 |
SMILES | C1(C2(CC[C@@]34C(=O)N5[C@@H](C[C@@H](C[C@H]5C[C@@]13O4)O)C)OCCO2)(C)C |
Title of publication | Enantioselective Total Syntheses of Citrinadins A and B. Stereochemical Revision of Their Assigned Structures. |
Authors of publication | Bian, Zhiguo; Marvin, Christopher C.; Pettersson, Martin; Martin, Stephen F. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 40 |
Pages of publication | 14184 |
a | 7.4902 ± 0.0009 Å |
b | 10.5726 ± 0.0013 Å |
c | 21.85 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1730.3 ± 0.3 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 | 0.0351 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for significantly intense reflections | 0.0831 |
Weighted residual factors for all reflections included in the refinement | 0.0843 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71074 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/4122698.html
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