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Information card for entry 7250335
Preview
| Coordinates | 7250335.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | none |
|---|---|
| Chemical name | N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)propane-1,3-diamine3-methylcyclohexanone clathrate |
| Formula | C52 H50 N2 O |
| Calculated formula | C52 H50 N2 O |
| Title of publication | The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones |
| Authors of publication | Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C. |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| Journal volume | 27 |
| Journal issue | 20 |
| Pages of publication | 3279 - 3294 |
| a | 8.8102 ± 0.0007 Å |
| b | 15.3893 ± 0.0011 Å |
| c | 15.4064 ± 0.0012 Å |
| α | 99.086 ± 0.002° |
| β | 102.942 ± 0.002° |
| γ | 101.262 ± 0.002° |
| Cell volume | 1951.6 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1305 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.1246 |
| Weighted residual factors for all reflections included in the refinement | 0.1515 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300717 (current) | 2025-07-06 | cif/ Updating files of 7250335, 7250336, 7250337, 7250338, 7250339 Original log message: Adding full bibliography for 7250335--7250339.cif. |
7250335.cif |
| 299417 | 2025-04-26 | cif/ Adding structures of 7250335, 7250336, 7250337, 7250338, 7250339 via cif-deposit CGI script. |
7250335.cif |
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Users of the data should acknowledge the original authors of the
structural data.