Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4025719
Preview
Coordinates | 4025719.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H34 N2 O2 |
---|---|
Calculated formula | C42 H34 N2 O2 |
SMILES | O=C1Nc2c(cc(c3cccc4c3c(ccc4)c3cc(c(NC(=O)[C@@H]4[C@H]([C@@H](c5ccccc5)[C@H]14)c1ccccc1)cc3)C)cc2)C |
Title of publication | Stereocontrolled Photodimerization with Congested 1,8-Bis(4'-anilino)naphthalene Templates |
Authors of publication | Marwan W. Ghosn; Christian Wolf |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2010 |
Journal volume | 75 |
Pages of publication | 6653 - 6659 |
a | 13.583 ± 0.002 Å |
b | 7.7892 ± 0.0013 Å |
c | 31.307 ± 0.005 Å |
α | 90° |
β | 96.563 ± 0.002° |
γ | 90° |
Cell volume | 3290.6 ± 0.9 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 | 0.0957 |
Residual factor for significantly intense reflections | 0.0554 |
Weighted residual factors for significantly intense reflections | 0.1163 |
Weighted residual factors for all reflections included in the refinement | 0.1289 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
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/4025719.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.