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Information card for entry 7246544
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| Coordinates | 7246544.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine |
|---|---|
| Formula | C109 H104 N4 O3 |
| Calculated formula | C109 H104 N4 O3 |
| Title of publication | Host behaviour of two tricyclic fused systems in mixed anisole guest solvents |
| Authors of publication | Barton, Benita; Trollip, Danica B.; Hosten, Eric C. |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 20 |
| Pages of publication | 3013 - 3024 |
| a | 12.3235 ± 0.0007 Å |
| b | 13.4341 ± 0.0008 Å |
| c | 13.8154 ± 0.0008 Å |
| α | 107.75 ± 0.002° |
| β | 93.267 ± 0.002° |
| γ | 102.939 ± 0.002° |
| Cell volume | 2103.6 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0437 |
| Weighted residual factors for significantly intense reflections | 0.1081 |
| Weighted residual factors for all reflections included in the refinement | 0.1208 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284256 (current) | 2023-06-05 | cif/ Updating files of 7246542, 7246543, 7246544 Original log message: Adding full bibliography for 7246542--7246544.cif. |
7246544.cif |
| 282162 | 2023-04-01 | cif/ Adding structures of 7246542, 7246543, 7246544 via cif-deposit CGI script. |
7246544.cif |
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Users of the data should acknowledge the original authors of the
structural data.