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Information card for entry 7049102
Preview
| Coordinates | 7049102.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H27 I |
|---|---|
| Calculated formula | C33 H27 I |
| Title of publication | Increasing steric demand through flexible bulk - primary phosphanes with 2,6-bis(benzhydryl)phenyl backbones. |
| Authors of publication | Bresien, Jonas; Goicoechea, Jose M.; Hinz, Alexander; Scharnhölz, Moritz T; Schulz, Axel; Suhrbier, Tim; Villinger, Alexander |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 11 |
| Pages of publication | 3786 - 3794 |
| a | 9.5977 ± 0.001 Å |
| b | 11.6939 ± 0.0011 Å |
| c | 22.47 ± 0.002 Å |
| α | 90° |
| β | 94.856 ± 0.004° |
| γ | 90° |
| Cell volume | 2512.9 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0439 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.096 |
| Weighted residual factors for all reflections included in the refinement | 0.0994 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.104 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7049102.cif |
| 224530 | 2019-11-08 | cif/ Updating files of 7049097, 7049098, 7049099, 7049100, 7049101, 7049102, 7049103, 7049104, 7049105 Original log message: Adding full bibliography for 7049097--7049105.cif. |
7049102.cif |
| 213775 | 2019-02-22 | cif/ Adding structures of 7049097, 7049098, 7049099, 7049100, 7049101, 7049102, 7049103, 7049104, 7049105 via cif-deposit CGI script. |
7049102.cif |
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Users of the data should acknowledge the original authors of the
structural data.