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Information card for entry 1518007
Preview
| Coordinates | 1518007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | dianion |
|---|---|
| Formula | C50 H44 Co2 N6 |
| Calculated formula | C50 H44 Co2 N6 |
| SMILES | c1(c2C(C(=C(c2c(c2C(C(=C(c12)C#N)CCCC)=C(C#N)C#N)C)C#N)CCCC)=C(C#N)C#N)C.[cH]12[cH]3[cH]4[cH]5[cH]1[Co]16782345[cH]2[cH]1[cH]6[cH]7[cH]82.[cH]12[cH]3[cH]4[cH]5[cH]1[Co]16782345[cH]2[cH]8[cH]7[cH]6[cH]12 |
| Title of publication | Synthesis and Electronic Structure of Dicyanofulvene-Fused Electron Accepting Molecule Based on a 1,5-Dihydro-s-Indacene Framework. |
| Authors of publication | Endo, Yasutaka; Hasegawa, Masashi; Matsui, Tamami; Yagi, Hajime; Hino, Shojun; Mazaki, Yasuhiro |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 21 |
| Pages of publication | 5608 - 5611 |
| a | 15.117 ± 0.003 Å |
| b | 25.634 ± 0.004 Å |
| c | 10.4832 ± 0.0018 Å |
| α | 90° |
| β | 93.16 ± 0.002° |
| γ | 90° |
| Cell volume | 4056.2 ± 1.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0774 |
| Residual factor for significantly intense reflections | 0.0678 |
| Weighted residual factors for significantly intense reflections | 0.2055 |
| Weighted residual factors for all reflections included in the refinement | 0.2155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.233 |
| 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. |
1518007.cif |
| 127274 | 2014-11-12 | cif/ Updating files of 1518007, 1518008, 1518009 Original log message: Adding full bibliography for 1518007--1518009.cif. |
1518007.cif |
| 125413 | 2014-10-15 | cif/ Adding structures of 1518007 via cif-deposit CGI script. |
1518007.cif |
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