Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107073
Preview
| Coordinates | 8107073.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H23 N O4 |
|---|---|
| Calculated formula | C24 H23 N O4 |
| SMILES | C(c1ccccc1)N(Cc1ccccc1)c1cc(cc(c1)C(=O)OC)C(=O)OC |
| Title of publication | Crystal structure of dimethyl 5-(dibenzylamino)isophthalate, C24H23NO4 |
| Authors of publication | Li, Yaping; Sun, Dajun; Ming, Julia; Su, Guanfang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 989 - 990 |
| a | 13.492 ± 0.006 Å |
| b | 9.259 ± 0.004 Å |
| c | 15.993 ± 0.008 Å |
| α | 90° |
| β | 94.009 ± 0.009° |
| γ | 90° |
| Cell volume | 1993 ± 1.6 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/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0744 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1015 |
| Weighted residual factors for all reflections included in the refinement | 0.1201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282517 (current) | 2023-04-07 | cif/ Adding structures of 8107073 via cif-deposit CGI script. |
8107073.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.