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Information card for entry 4122492
Preview
| Coordinates | 4122492.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H46 Cl4 |
|---|---|
| Calculated formula | C72 H46 Cl4 |
| SMILES | [C@@H]1(c2ccccc2C2=C(c3c4ccccc4ccc3C2=C1)c1c2ccccc2cc2ccccc12)[C@H]1c2ccccc2C2=C(c3c4ccccc4ccc3C2=C1)c1c2ccccc2cc2ccccc12.C(Cl)Cl.C(Cl)Cl.[C@H]1(c2ccccc2C2=C(c3c4ccccc4ccc3C2=C1)c1c2ccccc2cc2ccccc12)[C@@H]1c2ccccc2C2=C(c3c4ccccc4ccc3C2=C1)c1c2ccccc2cc2ccccc12.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Design and synthesis of new stable fluorenyl-based radicals. |
| Authors of publication | Tian, Yi; Uchida, Kazuyuki; Kurata, Hiroyuki; Hirao, Yasukazu; Nishiuchi, Tomohiko; Kubo, Takashi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 36 |
| Pages of publication | 12784 - 12793 |
| a | 11.732 ± 0.0008 Å |
| b | 17.4804 ± 0.0011 Å |
| c | 25.4536 ± 0.0015 Å |
| α | 90° |
| β | 96.9037 ± 0.0014° |
| γ | 90° |
| Cell volume | 5182.2 ± 0.6 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1252 |
| Residual factor for significantly intense reflections | 0.0656 |
| Weighted residual factors for significantly intense reflections | 0.174 |
| Weighted residual factors for all reflections included in the refinement | 0.2154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179026 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/24. |
4122492.cif |
| 127024 | 2014-11-12 | cif/ Updating files of 4122492, 4122493, 4122494, 4122495 Original log message: Adding full bibliography for 4122492--4122495.cif. |
4122492.cif |
| 126004 | 2014-10-30 | cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds. |
4122492.cif |
| 122492 | 2014-08-26 | cif/ Adding structures of 4122492 via cif-deposit CGI script. |
4122492.cif |
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