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Information card for entry 1505618
Preview
| Coordinates | 1505618.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H35 Cl N O4 |
|---|---|
| Calculated formula | C37 H35 Cl N O4 |
| Title of publication | A charge-transfer complex of 10,10'-dihydroxy-9,9'-biphenanthryl and methylviologen as a visual inclusion host system. |
| Authors of publication | Imai, Yoshitane; Kido, Shingo; Kamon, Kensaku; Kinuta, Takafumi; Sato, Tomohiro; Tajima, Nobuo; Kuroda, Reiko; Matsubara, Yoshio |
| Journal of publication | Organic letters |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 24 |
| Pages of publication | 5047 - 5050 |
| a | 9.2804 ± 0.0008 Å |
| b | 10.1749 ± 0.0009 Å |
| c | 17.6738 ± 0.0016 Å |
| α | 80.247 ± 0.002° |
| β | 77.003 ± 0.002° |
| γ | 64.981 ± 0.002° |
| Cell volume | 1468.3 ± 0.2 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0979 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.1299 |
| Weighted residual factors for all reflections included in the refinement | 0.145 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1505618.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. |
1505618.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505618.cif |
| 45777 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505618, 1505619 via cif-deposit CGI script. |
1505618.cif |
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Users of the data should acknowledge the original authors of the
structural data.