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Information card for entry 7247537
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| Coordinates | 7247537.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine |
|---|---|
| Formula | C54 H50 N4 |
| Calculated formula | C54 H50 N4 |
| Title of publication | The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines |
| Authors of publication | Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C. |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 45 |
| Pages of publication | 6317 - 6328 |
| a | 8.9716 ± 0.0005 Å |
| b | 9.2886 ± 0.0005 Å |
| c | 13.8221 ± 0.0008 Å |
| α | 75.212 ± 0.003° |
| β | 76.005 ± 0.003° |
| γ | 66.684 ± 0.003° |
| Cell volume | 1009.8 ± 0.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.058 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.0875 |
| Weighted residual factors for all reflections included in the refinement | 0.0974 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288805 (current) | 2024-01-06 | cif/ Updating files of 7247536, 7247537, 7247538, 7247539, 7247540 Original log message: Adding full bibliography for 7247536--7247540.cif. |
7247537.cif |
| 287062 | 2023-10-21 | cif/ Adding structures of 7247536, 7247537, 7247538, 7247539, 7247540 via cif-deposit CGI script. |
7247537.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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Users of the data should acknowledge the original authors of the
structural data.