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Information card for entry 4029423
Preview
| Coordinates | 4029423.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H17 O3 P |
|---|---|
| Calculated formula | C22 H17 O3 P |
| SMILES | P(=O)(c1c2c(c(=O)oc1C)cccc2)(c1ccccc1)c1ccccc1 |
| Title of publication | Allenylphosphine oxides as simple scaffolds for phosphinoylindoles and phosphinoylisocoumarins. |
| Authors of publication | Gangadhararao, G.; Kotikalapudi, Ramesh; Nagarjuna Reddy, M.; Swamy, K. C. Kumara |
| Journal of publication | Beilstein journal of organic chemistry |
| Year of publication | 2014 |
| Journal volume | 10 |
| Pages of publication | 996 - 1005 |
| a | 9.744 ± 0.0019 Å |
| b | 9.9918 ± 0.0017 Å |
| c | 10.2864 ± 0.0018 Å |
| α | 84.229 ± 0.014° |
| β | 76.556 ± 0.016° |
| γ | 66.323 ± 0.018° |
| Cell volume | 892 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0686 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1114 |
| Weighted residual factors for all reflections included in the refinement | 0.1191 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301812 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
4029423.cif |
| 178473 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/94. |
4029423.cif |
| 121377 | 2014-08-05 | cif/ Updating files of 4029421, 4029422, 4029423, 4029424 Original log message: Adding full bibliography for 4029421--4029424.cif. |
4029423.cif |
| 112833 | 2014-05-04 | cif/ Adding structures of 4029421, 4029422, 4029423, 4029424 via cif-deposit CGI script. |
4029423.cif |
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Users of the data should acknowledge the original authors of the
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