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Information card for entry 4316869
Preview
| Coordinates | 4316869.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C32 H66 N2 Si6 |
|---|---|
| Calculated formula | C32 H66 N2 Si6 |
| SMILES | C[Si](C)(C)N([Si](=[Si](C1(C(=C(C)C(=C1C)C)C)C)\N([Si](C)(C)C)[Si](C)(C)C)\C1(C(=C(C)C(=C1C)C)C)C)[Si](C)(C)C |
| Title of publication | One Pot Synthesis of Disilatricycloheptene Analogue and Jutzi's Disilene |
| Authors of publication | Shabana Khan; Sakya S. Sen; Herbert W. Roesky; Daniel Kratzert; Reent Michel; Dietmar Stalke |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 9689 - 9693 |
| a | 17.655 ± 0.003 Å |
| b | 10.1597 ± 0.0015 Å |
| c | 23.368 ± 0.004 Å |
| α | 90° |
| β | 110.668 ± 0.002° |
| γ | 90° |
| Cell volume | 3921.7 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0551 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0972 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4316869.cif |
| 179248 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/68. |
4316869.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316869.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316869.cif |
| 10378 | 2011-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4316869 via cif-deposit CGI script. |
4316869.cif |
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Users of the data should acknowledge the original authors of the
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