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Information card for entry 1504550
Preview
| Coordinates | 1504550.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | trans-1 |
|---|---|
| Chemical name | trans-P,P'-diphenyl-benzophospholo[3,2-b]benzophosphole-P,P'-dioxide |
| Formula | C26 H18 O2 P2 |
| Calculated formula | C26 H18 O2 P2 |
| SMILES | [P@@]1(=O)(c2ccccc2C2=C1c1ccccc1[P@]2(=O)c1ccccc1)c1ccccc1 |
| Title of publication | Bis-phosphoryl-bridged stilbenes synthesized by an intramolecular cascade cyclization. |
| Authors of publication | Fukazawa, Aiko; Hara, Masanao; Okamoto, Toshihiro; Son, Eun-Cheol; Xu, Caihong; Tamao, Kohei; Yamaguchi, Shigehiro |
| Journal of publication | Organic letters |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 5 |
| Pages of publication | 913 - 916 |
| a | 8.295 ± 0.017 Å |
| b | 15.32 ± 0.02 Å |
| c | 8.85 ± 0.019 Å |
| α | 90° |
| β | 113.703 ± 0.019° |
| γ | 90° |
| Cell volume | 1030 ± 3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0406 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.7107 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. |
1504550.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. |
1504550.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504550.cif |
| 42164 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504550 via cif-deposit CGI script. |
1504550.cif |
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