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Information card for entry 1544939
Preview
Coordinates | 1544939.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H41 N O7 S Si |
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Calculated formula | C32 H41 N O7 S Si |
SMILES | c1(cc2OCOc2cc1[C@@]12[C@H]3C[C@@H](C[C@@H]1N(C[C@@]23C=C)S(=O)(=O)c1ccc(cc1)C)O[Si](C)(C)C(C)(C)C)C(=O)OC.c1(cc2OCOc2cc1[C@]12[C@@H]3C[C@H](C[C@H]1N(C[C@]23C=C)S(=O)(=O)c1ccc(cc1)C)O[Si](C)(C)C(C)(C)C)C(=O)OC |
Title of publication | Biomimetic Total Synthesis of the Pentacyclic Amaryllidaceae Alkaloid Derivative Gracilamine. |
Authors of publication | Gao, Nadia Yuqian; Banwell, Martin G.; Willis, Anthony C. |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 1 |
Pages of publication | 162 - 165 |
a | 25.6854 ± 0.0002 Å |
b | 8.0217 ± 0.0001 Å |
c | 15.3789 ± 0.0001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 3168.68 ± 0.05 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 6 |
Space group number | 29 |
Hermann-Mauguin space group symbol | P c a 21 |
Hall space group symbol | P 2c -2ac |
Residual factor for all reflections | 0.0309 |
Residual factor for significantly intense reflections | 0.0303 |
Weighted residual factors for all reflections | 0.0783 |
Weighted residual factors for significantly intense reflections | 0.0778 |
Weighted residual factors for all reflections included in the refinement | 0.0783 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0308 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1544939.html
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Users of the data should acknowledge the original authors of the
structural data.