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Information card for entry 4028849
Preview
Coordinates | 4028849.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H25 N O3 |
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Calculated formula | C21 H25 N O3 |
SMILES | O1[C@@H]([C@@H](N(Cc2ccccc2)[C@@H](c2ccccc2)C)CC1=O)[C@@H](O)C |
Title of publication | Asymmetric Syntheses of Methyl N,O-Diacetyl-d-3-epi-daunosaminide and Methyl N,O-Diacetyl-d-ristosaminide |
Authors of publication | Kristína Csatayová; Stephen G. Davies; J. Gair Ford; James A. Lee; Paul M. Roberts; James E. Thomson |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 12397 - 12408 |
a | 10.6664 ± 0.0012 Å |
b | 7.2589 ± 0.0009 Å |
c | 11.7104 ± 0.0014 Å |
α | 90° |
β | 98.315 ± 0.006° |
γ | 90° |
Cell volume | 897.16 ± 0.19 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0798 |
Residual factor for significantly intense reflections | 0.0658 |
Weighted residual factors for all reflections | 0.1572 |
Weighted residual factors for significantly intense reflections | 0.1478 |
Weighted residual factors for all reflections included in the refinement | 0.1572 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.9178 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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