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Information card for entry 1501698
Preview
| Coordinates | 1501698.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H26 F3 N Si |
|---|---|
| Calculated formula | C27 H26 F3 N Si |
| SMILES | [Si]1(c2c3c(n(c2c2ccccc12)c1ccc(cc1)C(F)(F)F)cccc3)(C(C)C)C(C)C |
| Title of publication | Highly Efficient Blue Fluorescence from 3,2′-Silylene-Bridged 2-Phenylindoles in the Solid State |
| Authors of publication | Shimizu, Masaki; Mochida, Kenji; Hiyama, Tamejiro |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2011 |
| Journal volume | 115 |
| Journal issue | 22 |
| Pages of publication | 11265 |
| a | 8.0586 ± 0.0013 Å |
| b | 14.782 ± 0.002 Å |
| c | 20.24 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2411 ± 0.6 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.087 |
| Residual factor for significantly intense reflections | 0.0746 |
| Weighted residual factors for significantly intense reflections | 0.2021 |
| Weighted residual factors for all reflections included in the refinement | 0.214 |
| 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 |
|---|---|---|---|
| 176729 (current) | 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. |
1501698.cif |
| 114130 | 2014-05-22 | cif/ Updating files of 1501697, 1501698 Original log message: Adding full bibliography for 1501697--1501698.cif. |
1501698.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501698.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501698.cif |
| 35050 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501698 via cif-deposit CGI script. |
1501698.cif |
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Users of the data should acknowledge the original authors of the
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