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Information card for entry 1501901
Preview
| Coordinates | 1501901.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H42 B N |
|---|---|
| Calculated formula | C42 H42 B N |
| SMILES | B(c1ccc(c2cccc3cccc(c23)c2ccc(N(C)C)cc2)cc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
| Title of publication | Switchable Three-State Fluorescence of a Nonconjugated Donor‒Acceptor Triarylborane |
| Authors of publication | Hudson, Zachary M.; Liu, Xiang-Yang; Wang, Suning |
| Journal of publication | Organic Letters |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 2 |
| Pages of publication | 300 - 303 |
| a | 23.245 ± 0.005 Å |
| b | 11.539 ± 0.003 Å |
| c | 12.288 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3295.9 ± 1.2 Å3 |
| Cell temperature | 180 ± 2 K |
| Ambient diffraction temperature | 180 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.263 |
| Residual factor for significantly intense reflections | 0.0588 |
| Weighted residual factors for significantly intense reflections | 0.0858 |
| Weighted residual factors for all reflections included in the refinement | 0.1224 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.703 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210333 (current) | 2018-09-02 | cif/1/ Updating bibliography in entries 1501901, 1516223. Marking entry 1516223 as a duplicate of entry 1501901. |
1501901.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1501901.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1501901.cif |
| 86399 | 2013-07-09 | smi/1 Adding simplified SMILES for compounds with Z'>1 in subdir 1 |
1501901.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1501901.cif |
| 35243 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1501901 via cif-deposit CGI script. |
1501901.cif |
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Users of the data should acknowledge the original authors of the
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