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Information card for entry 4028366
Preview
Coordinates | 4028366.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H23 N O5 |
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Calculated formula | C16 H23 N O5 |
SMILES | C1CC[C@@]23[C@H](CC[C@](CCN13)(C2=O)C(=O)OCC)OC(=O)C.C1CC[C@]23[C@@H](CC[C@@](CCN13)(C2=O)C(=O)OCC)OC(=O)C |
Title of publication | Transannular Reductive Rearrangement of α-Amino Ketones: construction of Aza-tricyclic Frameworks of Several Alkaloids |
Authors of publication | Jian Zhang; Yong-Qiang Wang; Xin-Wei Wang; Wei-Dong Z. Li |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 6154 - 6162 |
a | 15.235 ± 0.016 Å |
b | 7.7 ± 0.008 Å |
c | 14.339 ± 0.015 Å |
α | 90° |
β | 108.123 ± 0.011° |
γ | 90° |
Cell volume | 1599 ± 3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0921 |
Residual factor for significantly intense reflections | 0.0491 |
Weighted residual factors for significantly intense reflections | 0.1167 |
Weighted residual factors for all reflections included in the refinement | 0.139 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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