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Information card for entry 1505761
Preview
| Coordinates | 1505761.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H23 N O3 |
|---|---|
| Calculated formula | C22 H23 N O3 |
| SMILES | O=N(=O)c1ccc(cc1)/C=C/C=C/C=C/c1ccc(OCCCC)cc1 |
| Title of publication | Fluorescence spectroscopic properties and crystal structure of a series of donor-acceptor diphenylpolyenes. |
| Authors of publication | Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki |
| Journal of publication | The journal of physical chemistry. A |
| Year of publication | 2006 |
| Journal volume | 110 |
| Journal issue | 50 |
| Pages of publication | 13379 - 13387 |
| a | 8.0445 ± 0.0009 Å |
| b | 8.5236 ± 0.0009 Å |
| c | 14.1707 ± 0.0015 Å |
| α | 74.95 ± 0.002° |
| β | 82.264 ± 0.002° |
| γ | 77.374 ± 0.002° |
| Cell volume | 912.51 ± 0.17 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0726 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1614 |
| Weighted residual factors for all reflections included in the refinement | 0.1878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.82 |
| 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. |
1505761.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. |
1505761.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505761.cif |
| 47710 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505761 via cif-deposit CGI script. |
1505761.cif |
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Users of the data should acknowledge the original authors of the
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