Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8101652
Preview
| Coordinates | 8101652.cif |
|---|
| Formula | C19 H15 N O |
|---|---|
| Calculated formula | C19 H15 N O |
| SMILES | O1C(C=Cc2c1ccc1c2cccn1)(c1ccccc1)C |
| Title of publication | Crystal structure of 8-methyl-8-phenyl-[8<i>H</i>]-pyrano[3,2-<i>f </i>]quinoline, C~19~H~15~NO |
| Authors of publication | Aldoshin, Sergei; Chuev, Igor; Filipenko, Olga; Lokshin, Vladimir; Guglielmetti, Robert; Pèpe, Gérard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1998 |
| Journal volume | 213 |
| Journal issue | 4 |
| Pages of publication | 743 - 744 |
| a | 21.741 ± 0.004 Å |
| b | 7.584 ± 0.002 Å |
| c | 8.802 ± 0.002 Å |
| α | 90° |
| β | 97.3 ± 0.03° |
| γ | 90° |
| Cell volume | 1439.5 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.1158 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|
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.