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Information card for entry 4072718
Preview
| Coordinates | 4072718.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Hydrogen-(2R*,3R*,7S*,8S*)-2,3,7,8-tetramethyl-2,3,7,8-tetrakis[tris (trimethylsilyl)silyl]-5-aluminata-1,4,6,9-tetraoxa-2,3,7,8-tetrasila- spiro[4.4]nonane |
|---|---|
| Formula | C40 H120 Al O4 Si20 |
| Calculated formula | C40 H120 Al O4 Si20 |
| SMILES | C[Si@@]1(O[Al]2(O[Si@@](C)([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si@](O2)(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)O[Si@]1(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C |
| Title of publication | Synthesis and Structure of Cyclic Aluminum Disiloxides |
| Authors of publication | Krempner, C.; Reinke, H.; Weichert, K. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 6 |
| Pages of publication | 1386 |
| a | 17.864 ± 0.003 Å |
| b | 17.864 ± 0.003 Å |
| c | 26.009 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8300 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.078 |
| Residual factor for significantly intense reflections | 0.0654 |
| Weighted residual factors for significantly intense reflections | 0.14 |
| Weighted residual factors for all reflections included in the refinement | 0.1455 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178616 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/27. |
4072718.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4072718.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072718.cif |
| 45966 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4072714, 4072715, 4072716, 4072717, 4072718 via cif-deposit CGI script. |
4072718.cif |
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