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Information card for entry 7250339
Preview
| Coordinates | 7250339.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | none |
|---|---|
| Chemical name | N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)propane-1,3-diamine cyclohexanone clathrate |
| Formula | C51 H48 N2 O |
| Calculated formula | C51 H48 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 Cyriel |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 15.1599 ± 0.001 Å |
| b | 11.4773 ± 0.0006 Å |
| c | 21.8168 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3796 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0579 |
| Residual factor for significantly intense reflections | 0.054 |
| Weighted residual factors for significantly intense reflections | 0.135 |
| Weighted residual factors for all reflections included in the refinement | 0.1379 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299417 (current) | 2025-04-26 | cif/ Adding structures of 7250335, 7250336, 7250337, 7250338, 7250339 via cif-deposit CGI script. |
7250339.cif |
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