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Information card for entry 1502735
Preview
| Coordinates | 1502735.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H42 |
|---|---|
| Calculated formula | C60 H42 |
| SMILES | c1ccccc1C(=Cc1ccc(cc1)c1ccc2c(c1)C(=C1C=CC=CC=C1)c1cc(ccc21)c1ccc(cc1)C=C(c1ccccc1)c1ccccc1)c1ccccc1 |
| Title of publication | Electron Transfer and Aggregate Formation Coinduced Emission Enhancement of 9-Cycloheptatrienylidene Fluorenes in the Presence of Cupric Chloride |
| Authors of publication | Han, Qingchuan; Su, Qiang; Tang, Lei; Feng, Jinwu; Lu, Ping; Wang, Yanguang |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2010 |
| Journal volume | 114 |
| Journal issue | 43 |
| Pages of publication | 18702 |
| a | 10.5356 ± 0.001 Å |
| b | 9.7161 ± 0.0006 Å |
| c | 41.525 ± 0.002 Å |
| α | 90° |
| β | 94.721 ± 0.007° |
| γ | 90° |
| Cell volume | 4236.3 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 2 |
| 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 | 0.1416 |
| Residual factor for significantly intense reflections | 0.0769 |
| Weighted residual factors for significantly intense reflections | 0.2229 |
| Weighted residual factors for all reflections included in the refinement | 0.2448 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198632 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_exptl_absorpt_correction_type' data item 'multi-scan' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 524 files were changed. |
1502735.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. |
1502735.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502735.cif |
| 36683 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1502735 via cif-deposit CGI script. |
1502735.cif |
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Users of the data should acknowledge the original authors of the
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