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Information card for entry 4084628
Preview
| Coordinates | 4084628.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H28 O7 Si3 |
|---|---|
| Calculated formula | C22 H28 O7 Si3 |
| Title of publication | Acid-Catalyzed Condensation Reaction of Phenylsilanetriol: Unexpected Formation ofcis,trans-1,3,5-Trihydroxy-1,3,5-triphenylcyclotrisiloxane as the Main Product and Its Isolation |
| Authors of publication | Yagihashi, Fujio; Igarashi, Masayasu; Nakajima, Yumiko; Ando, Wataru; Sato, Kazuhiko; Yumoto, Yoshiyuki; Matsui, Chinami; Shimada, Shigeru |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 22 |
| Pages of publication | 6278 |
| a | 6.37 ± 0.005 Å |
| b | 17.942 ± 0.005 Å |
| c | 21.769 ± 0.005 Å |
| α | 90° |
| β | 92.181 ± 0.005° |
| γ | 90° |
| Cell volume | 2486 ± 2 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0654 |
| Residual factor for significantly intense reflections | 0.0612 |
| Weighted residual factors for significantly intense reflections | 0.1599 |
| Weighted residual factors for all reflections included in the refinement | 0.1628 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4084628.cif |
| 178735 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/46. |
4084628.cif |
| 131422 | 2015-02-07 | cif/ Updating files of 4084628 Original log message: Adding full bibliography for 4084628.cif. |
4084628.cif |
| 126270 | 2014-11-05 | cif/ Adding structures of 4084628 via cif-deposit CGI script. |
4084628.cif |
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Users of the data should acknowledge the original authors of the
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