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Information card for entry 4111532
Preview
Coordinates | 4111532.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C31 H38 N2 O5 |
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Calculated formula | C31 H38 N2 O5 |
SMILES | O=C(N(C(C)C)C(C)C)C(=O)c1ccc(cc1)C(=O)N[C@H]([C@@H](O)c1ccccc1)COC.c1ccccc1 |
Title of publication | Asymmetric Induction during Yang Cyclization of α-Oxoamides: The Power of a Covalently Linked Chiral Auxiliary Is Enhanced in the Crystalline State |
Authors of publication | Arunkumar Natarajan; Joel T. Mague; V. Ramamurthy |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2005 |
Journal volume | 127 |
Pages of publication | 3568 - 3576 |
a | 6.1593 ± 0.0008 Å |
b | 13.058 ± 0.0018 Å |
c | 35.785 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2878.1 ± 0.7 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 | 0.0773 |
Residual factor for significantly intense reflections | 0.0668 |
Weighted residual factors for significantly intense reflections | 0.1531 |
Weighted residual factors for all reflections included in the refinement | 0.1606 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
Diffraction radiation wavelength | 0.71073 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/4111532.html
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Users of the data should acknowledge the original authors of the
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