Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4028807
Preview
Coordinates | 4028807.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H20 N4 O5 |
---|---|
Calculated formula | C26 H20 N4 O5 |
SMILES | N(c1c2ncccc2ccc1)C(=O)C1[C@H](c2cc(N(=O)=O)ccc2)C[C@@H]1c1cc(N(=O)=O)ccc1.N(c1c2ncccc2ccc1)C(=O)C1[C@@H](c2cc(N(=O)=O)ccc2)C[C@H]1c1cc(N(=O)=O)ccc1 |
Title of publication | Direct Bis-Arylation of Cyclobutanecarboxamide via Double C-H Activation: An Auxiliary-Aided Diastereoselective Pd-Catalyzed Access to Trisubstituted Cyclobutane Scaffolds Having Three Contiguous Stereocenters and an All-cis Stereochemistry |
Authors of publication | Ramarao Parella; Bojan Gopalakrishnan; Srinivasarao Arulananda Babu |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2013 |
Journal volume | 78 |
Pages of publication | 11911 - 11934 |
a | 11.718 ± 0.003 Å |
b | 14.078 ± 0.003 Å |
c | 13.761 ± 0.003 Å |
α | 90° |
β | 94.233 ± 0.014° |
γ | 90° |
Cell volume | 2263.9 ± 0.9 Å3 |
Cell temperature | 298 K |
Ambient diffraction temperature | 298 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 | 0.0695 |
Residual factor for significantly intense reflections | 0.0432 |
Weighted residual factors for significantly intense reflections | 0.1047 |
Weighted residual factors for all reflections included in the refinement | 0.1193 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/4028807.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.