Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4132797
Preview
Coordinates | 4132797.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H21 N O2 |
---|---|
Calculated formula | C19 H21 N O2 |
SMILES | c12ccccc1[C@]1(C[C@@](C)(O[C@@]1(c1ccccc1)N2C)O)C.c12ccccc1[C@@]1(C[C@](C)(O[C@]1(c1ccccc1)N2C)O)C |
Title of publication | Tandem Allylation/1,2-Boronate Rearrangement for the Asymmetric Synthesis of Indolines with Adjacent Quaternary Stereocenters. |
Authors of publication | Panda, Santanu; Ready, Joseph M. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 41 |
Pages of publication | 13242 - 13252 |
a | 32.768 ± 0.007 Å |
b | 32.768 ± 0.007 Å |
c | 7.461 ± 0.0017 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 6938 ± 3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 148 |
Hermann-Mauguin space group symbol | R -3 :H |
Hall space group symbol | -R 3 |
Residual factor for all reflections | 0.078 |
Residual factor for significantly intense reflections | 0.0617 |
Weighted residual factors for significantly intense reflections | 0.1649 |
Weighted residual factors for all reflections included in the refinement | 0.1765 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
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/4132797.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.