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Information card for entry 4109147
Preview
| Coordinates | 4109147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Si3C-bicyclo[1.1.0]butane |
|---|---|
| Formula | C37 H86 Si7 |
| Calculated formula | C37 H86 Si7 |
| SMILES | [Si]12([Si]([Si]1([Si](C)(C(C)(C)C)C(C)(C)C)[Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)C2)[Si](C)(C(C)(C)C)C(C)(C)C |
| Title of publication | Interplay of EnE'3-nC Valence Isomers (E, E' = Si, Ge): Bicyclo[1.1.0]butanes with Very Short Bridging Bonds and Their Isomerization to Alkyl-Substituted Cyclopropenes |
| Authors of publication | Vladimir Ya. Lee; Hiroyuki Yasuda; Akira Sekiguchi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 2436 - 2437 |
| a | 11.737 ± 0.0002 Å |
| b | 17.826 ± 0.0006 Å |
| c | 22.719 ± 0.0006 Å |
| α | 90° |
| β | 91.642 ± 0.002° |
| γ | 90° |
| Cell volume | 4751.4 ± 0.2 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 3 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 c 1 |
| Hall space group symbol | P -2yc |
| Residual factor for all reflections | 0.0381 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.1012 |
| Weighted residual factors for all reflections included in the refinement | 0.1024 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4109147.cif |
| 178837 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/91. |
4109147.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109147.cif |
| 57901 | 2012-05-23 | cif/ Adding structures of 4109147 via cif-deposit CGI script. |
4109147.cif |
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