Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7229299
Preview
| Coordinates | 7229299.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H62 |
|---|---|
| Calculated formula | C44 H62 |
| SMILES | c12cc3c(cc2c2ccccc2C1(CCCCCC)CCCCCC)C(c1c3cccc1)(CCCCCC)CCCCCC |
| Title of publication | Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern |
| Authors of publication | Hempe, M.; Reggelin, M. |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 75 |
| Pages of publication | 47183 |
| a | 8.453 ± 0.001 Å |
| b | 10.868 ± 0.001 Å |
| c | 11.903 ± 0.002 Å |
| α | 92.85 ± 0.01° |
| β | 108.07 ± 0.01° |
| γ | 104.44 ± 0.01° |
| Cell volume | 997.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0965 |
| Residual factor for significantly intense reflections | 0.0608 |
| Weighted residual factors for significantly intense reflections | 0.1356 |
| Weighted residual factors for all reflections included in the refinement | 0.1579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201850 (current) | 2017-10-07 | cif/ Adding structures of 7229294, 7229295, 7229296, 7229297, 7229298, 7229299, 7229300 via cif-deposit CGI script. |
7229299.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.