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Information card for entry 4073471
Preview
| Coordinates | 4073471.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 9-silaphenanthrene |
|---|---|
| Formula | C40 H68 Si7 |
| Calculated formula | C40 H68 Si7 |
| SMILES | [Si]1(=Cc2c(c3c1cccc3)cccc2)c1c(cc(cc1C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)C([Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Synthesis and Properties of a Kinetically Stabilized 9-Silaphenanthrene |
| Authors of publication | Tokitoh, Norihiro; Shinohara, Akihiro; Matsumoto, Takeshi; Sasamori, Takahiro; Takeda, Nobuhiro; Furukawa, Yukio |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 16 |
| Pages of publication | 4048 - 4053 |
| a | 45.186 ± 0.005 Å |
| b | 9.3647 ± 0.0006 Å |
| c | 43.241 ± 0.004 Å |
| α | 90° |
| β | 90.875 ± 0.004° |
| γ | 90° |
| Cell volume | 18295 ± 3 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.142 |
| Residual factor for significantly intense reflections | 0.0607 |
| Weighted residual factors for significantly intense reflections | 0.1348 |
| Weighted residual factors for all reflections included in the refinement | 0.171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301830 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure. |
4073471.cif |
| 279035 | 2022-11-07 | cif/4/07/34/ Updated bibliographic information in entry 4073471. |
4073471.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4073471.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4073471.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4073471.cif |
| 46358 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4073471 via cif-deposit CGI script. |
4073471.cif |
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