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Information card for entry 7120401
Preview
| Coordinates | 7120401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | trans6aaMe |
|---|---|
| Chemical name | 3,7-dimethoxy-5-phenyl-10-(o-tolyl)-10H-acridophosphine 5-oxide |
| Formula | C28 H25 O3 P |
| Calculated formula | C28 H25 O3 P |
| SMILES | P1(=O)(c2c(C(c3c(cccc3)C)c3c1cc(OC)cc3)ccc(OC)c2)c1ccccc1 |
| Title of publication | Synthesis of seminaphtho-phospha-fluorescein dyes based on the consecutive arylation of aryldichlorophosphines |
| Authors of publication | Fukazawa, Aiko; Usuba, Junichi; Adler, Raúl A.; Yamaguchi, Shigehiro |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 7.4318 ± 0.0016 Å |
| b | 19.171 ± 0.004 Å |
| c | 15.802 ± 0.004 Å |
| α | 90° |
| β | 94.986 ± 0.003° |
| γ | 90° |
| Cell volume | 2242.9 ± 0.9 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 | 0.0439 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0948 |
| Weighted residual factors for all reflections included in the refinement | 0.0975 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301860 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
7120401.cif |
| 198562 | 2017-07-08 | cif/ Adding structures of 7120399, 7120400, 7120401 via cif-deposit CGI script. |
7120401.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.