Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7242940
Preview
| Coordinates | 7242940.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N,N-Bis(4,5-diphenyl-8-dimethylaminonaphth-1-methylidene)-1,2-ethanediamine, |
|---|---|
| Formula | C52 H46 N4 |
| Calculated formula | C52 H46 N4 |
| SMILES | N(c1ccc(c2c(ccc(c12)/C=N/CC/N=C/c1c2c(N(C)C)ccc(c2c(cc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(C)C |
| Title of publication | Interaction, bond formation or reaction between a dimethylamino group and an adjacent alkene or aldehyde group in aromatic systems controlled by remote molecular constraints |
| Authors of publication | Bristow, Jonathan C.; Cliff, Stacey V. A.; Yang, Songjie; Wallis, John D. |
| Journal of publication | CrystEngComm |
| Year of publication | 2021 |
| Journal volume | 23 |
| Journal issue | 25 |
| Pages of publication | 4500 - 4512 |
| a | 9.8042 ± 0.0002 Å |
| b | 15.4073 ± 0.0004 Å |
| c | 52.7317 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7965.5 ± 0.3 Å3 |
| Cell temperature | 150.01 ± 0.1 K |
| Ambient diffraction temperature | 150.01 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0752 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1278 |
| Weighted residual factors for all reflections included in the refinement | 0.1423 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 267127 (current) | 2021-07-05 | cif/ Updating files of 7242927, 7242928, 7242929, 7242930, 7242931, 7242932, 7242933, 7242934, 7242935, 7242936, 7242937, 7242938, 7242939, 7242940, 7242941, 7242942, 7242943, 7242944 Original log message: Adding full bibliography for 7242927--7242944.cif. |
7242940.cif |
| 265568 | 2021-05-28 | cif/ Adding structures of 7242927, 7242928, 7242929, 7242930, 7242931, 7242932, 7242933, 7242934, 7242935, 7242936, 7242937, 7242938, 7242939, 7242940, 7242941, 7242942, 7242943, 7242944 via cif-deposit CGI script. |
7242940.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.