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Information card for entry 7042375
Preview
| Coordinates | 7042375.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18.5 H34.5 Cl1.5 O2 Si2 |
|---|---|
| Calculated formula | C18.5 H34.5 Cl1.5 O2 Si2 |
| SMILES | c1c(ccc(c1)[Si](O)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)O.C(Cl)(Cl)Cl |
| Title of publication | Synthesis of heteroatomic bridged paracyclophanes. |
| Authors of publication | Reuter, K.; Maas, R. G. M.; Reuter, A.; Kilgenstein, F.; Asfaha, Y.; von Hänisch, C |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 14 |
| Pages of publication | 4530 - 4541 |
| a | 12.4377 ± 0.0009 Å |
| b | 12.9833 ± 0.0008 Å |
| c | 15.6637 ± 0.001 Å |
| α | 104.231 ± 0.002° |
| β | 105.552 ± 0.002° |
| γ | 101.563 ± 0.002° |
| Cell volume | 2263.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.072 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.0955 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| 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. |
7042375.cif |
| 203412 | 2017-11-21 | cif/7 Fixing Z values and formulae accordingly. |
7042375.cif |
| 196439 | 2017-05-06 | cif/ Updating files of 7042367, 7042368, 7042369, 7042370, 7042371, 7042372, 7042373, 7042374, 7042375, 7042376 Original log message: Adding full bibliography for 7042367--7042376.cif. |
7042375.cif |
| 194115 | 2017-03-09 | cif/ Adding structures of 7042367, 7042368, 7042369, 7042370, 7042371, 7042372, 7042373, 7042374, 7042375, 7042376 via cif-deposit CGI script. |
7042375.cif |
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Users of the data should acknowledge the original authors of the
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