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Information card for entry 8102274
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| Coordinates | 8102274.cif |
|---|---|
| External links | ChemSpider |
| Common name | 2-oxo-3- triphenylphos phonium-N-(phenyl)-maleinimidylid |
|---|---|
| Formula | C28 H20 N O3 P |
| Calculated formula | C28 H20 N O3 P |
| SMILES | P(c1ccccc1)(c1ccccc1)(c1ccccc1)=C1C(=O)N(c2ccccc2)C(=O)C1=O |
| Title of publication | Crystal structure of 2-oxo-3-triphenylphosphonium-N-(phenyl)-maleinimidylid, C28H20NO3P |
| Authors of publication | Da-He Fan; Yong-Miao Shen |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2008 |
| Journal volume | 223 |
| Journal issue | 3 |
| Pages of publication | 237 |
| a | 9.44 ± 0.0019 Å |
| b | 19.475 ± 0.004 Å |
| c | 13.32 ± 0.003 Å |
| α | 90° |
| β | 109.05 ± 0.03° |
| γ | 90° |
| Cell volume | 2314.7 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0884 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1348 |
| Weighted residual factors for all reflections included in the refinement | 0.1558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102274.cif |
| 202018 | 2017-10-14 | cif/ Marking COD entries in range 8 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
8102274.cif |
| 176728 | 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 8. |
8102274.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102274.cif |
| 13013 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102274 via cif-deposit CGI script. |
8102274.cif |
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Users of the data should acknowledge the original authors of the
structural data.