Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4027833
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4027833.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H29 N O5 |
---|---|
Calculated formula | C23 H29 N O5 |
SMILES | O=C1[C@]23[C@@]4(O[C@H](N(OCc5ccc(OC)cc5)CCC3)CC4)C(=O)C[C@@H]2CCC1.O=C1[C@@]23[C@]4(O[C@@H](N(OCc5ccc(OC)cc5)CCC3)CC4)C(=O)C[C@H]2CCC1 |
Title of publication | Total Synthesis of (+)-Sieboldine A: Evolution of a Pinacol-Terminated Cyclization Strategy |
Authors of publication | Stephen M. Canham; David J. France; Larry E. Overman |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 9 - 34 |
a | 8.3685 ± 0.0003 Å |
b | 10.298 ± 0.0004 Å |
c | 12.6902 ± 0.0005 Å |
α | 70.9236 ± 0.0004° |
β | 83.1057 ± 0.0004° |
γ | 72.6356 ± 0.0004° |
Cell volume | 986.16 ± 0.07 Å3 |
Cell temperature | 103 ± 2 K |
Ambient diffraction temperature | 103 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0384 |
Residual factor for significantly intense reflections | 0.0358 |
Weighted residual factors for significantly intense reflections | 0.0955 |
Weighted residual factors for all reflections included in the refinement | 0.0979 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4027833.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.