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Information card for entry 1507022
Preview
| Coordinates | 1507022.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | 1,4-Bis(1-sila-2-indenyl)benzene |
|---|---|
| Formula | C26 H26 Si2 |
| Calculated formula | C26 H26 Si2 |
| SMILES | [Si]1(C(=Cc2ccccc12)c1ccc(C2=Cc3ccccc3[Si]2(C)C)cc1)(C)C |
| Title of publication | General silaindene synthesis based on intramolecular reductive cyclization toward new fluorescent silicon-containing pi-electron materials. |
| Authors of publication | Xu, Caihong; Wakamiya, Atsushi; Yamaguchi, Shigehiro |
| Journal of publication | Organic letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 21 |
| Pages of publication | 3707 - 3710 |
| a | 9.095 ± 0.005 Å |
| b | 9.85 ± 0.005 Å |
| c | 24.523 ± 0.005 Å |
| α | 90 ± 0.005° |
| β | 92.51 ± 0.005° |
| γ | 90 ± 0.005° |
| Cell volume | 2194.8 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0583 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1092 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507022.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507022.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507022.cif |
| 51616 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1507022 via cif-deposit CGI script. |
1507022.cif |
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Users of the data should acknowledge the original authors of the
structural data.