Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1548532
Preview
| Coordinates | 1548532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H12 N2 |
|---|---|
| Calculated formula | C15 H12 N2 |
| SMILES | C=NN1C2c3ccccc3C1c1ccccc21 |
| Title of publication | Diazomethane umpolung atop anthracene: an electrophilic methylene transfer reagent. |
| Authors of publication | Joost, Maximilian; Transue, Wesley J.; Cummins, Christopher C. |
| Journal of publication | Chemical science |
| Year of publication | 2018 |
| Journal volume | 9 |
| Journal issue | 6 |
| Pages of publication | 1540 - 1543 |
| a | 22.851 ± 0.003 Å |
| b | 5.7145 ± 0.0006 Å |
| c | 16.97 ± 0.002 Å |
| α | 90° |
| β | 98.174 ± 0.003° |
| γ | 90° |
| Cell volume | 2193.5 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1199 |
| Weighted residual factors for all reflections included in the refinement | 0.1298 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1548532.cif |
| 228737 | 2019-11-17 | cif/ Updating files of 1548532, 1548533, 1548534 Original log message: Adding full bibliography for 1548532--1548534.cif. |
1548532.cif |
| 204468 | 2017-12-22 | cif/ Adding structures of 1548532, 1548533, 1548534 via cif-deposit CGI script. |
1548532.cif |
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.