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Information card for entry 4064986
Preview
| Coordinates | 4064986.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | octakis(3-thioacetatepropyl)octasilsesquioxane |
|---|---|
| Chemical name | octakis(3-propyl ethanethioate)octasilsesquioxane ? |
| Formula | C40 H72 O20 S8 Si8 |
| Calculated formula | C40 H72 O20 S8 Si8 |
| Title of publication | Synthesis and Characterization of Octakis(3-propyl ethanethioate)octasilsesquioxane |
| Authors of publication | Ervithayasuporn, Vuthichai; Tomeechai, Thapakorn; Takeda, Nobuhiro; Unno, Masafumi; Chaiyanurakkul, Arada; Hamkool, Rangsinee; Osotchan, Tanakorn |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 17 |
| Pages of publication | 4475 |
| a | 8.8878 ± 0.0016 Å |
| b | 9.681 ± 0.002 Å |
| c | 18.822 ± 0.004 Å |
| α | 91.1 ± 0.007° |
| β | 97.918 ± 0.008° |
| γ | 96.815 ± 0.008° |
| Cell volume | 1591.7 ± 0.6 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.0603 |
| Residual factor for significantly intense reflections | 0.0502 |
| Weighted residual factors for significantly intense reflections | 0.1195 |
| Weighted residual factors for all reflections included in the refinement | 0.1262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178543 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/49. |
4064986.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064986.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064986.cif |
| 33123 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064986 via cif-deposit CGI script. |
4064986.cif |
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Users of the data should acknowledge the original authors of the
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