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Information card for entry 7215550
Preview
| Coordinates | 7215550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H8 Br N4 O |
|---|---|
| Calculated formula | C20 H8 Br N4 O |
| Title of publication | Formation and crystal structure of the chiral charge-transfer complex with axially chiral 1,1'-bis-2-naphthol derivatives and tetracyanobenzene |
| Authors of publication | Imai, Yoshitane; Kamon, Kensaku; Kido, Shingo; Harada, Takunori; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 4 |
| Pages of publication | 620 - 624 |
| a | 26.349 ± 0.004 Å |
| b | 7.3596 ± 0.0011 Å |
| c | 8.8067 ± 0.0013 Å |
| α | 90° |
| β | 101.072 ± 0.002° |
| γ | 90° |
| Cell volume | 1676 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0309 |
| Residual factor for significantly intense reflections | 0.0275 |
| Weighted residual factors for significantly intense reflections | 0.0577 |
| Weighted residual factors for all reflections included in the refinement | 0.0641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 7200504 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218477 (current) | 2019-09-18 | cif/7/21/55/ Marked entries as duplicates of entries 7200504-7200505. |
7215550.cif |
| 218476 | 2019-09-18 | cif/7/21/55/ Updated bibliographic information in entries 7215550-7215551. |
7215550.cif |
| 180486 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/55. |
7215550.cif |
| 112519 | 2014-05-02 | cif/ Adding structures of 7215550, 7215551 via cif-deposit CGI script. |
7215550.cif |
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Users of the data should acknowledge the original authors of the
structural data.