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Information card for entry 4025986
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| Coordinates | 4025986.cif |
|---|---|
| Structure factors | 4025986.hkl |
| Original paper (by DOI) | HTML |
| Formula | C28 H20 B0 F0 N O0 P |
|---|---|
| Calculated formula | C28 H20 N P |
| SMILES | P1(c2ccccc2)(c2ccccc2)c2ccccc2C(=CC=1C#N)c1ccccc1 |
| Title of publication | Photochemical Synthesis of Phosphinolines from Phosphonium-Iodonium Ylides |
| Authors of publication | Elena D. Matveeva; Tatyana A. Podrugina; Marina A. Taranova; Anatolyi A. Borisenko; Andrey V. Mironov; Rolf Gleiter; Nikolay S. Zefirov |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2011 |
| Journal volume | 76 |
| Pages of publication | 566 - 572 |
| a | 8.767 ± 0.003 Å |
| b | 8.8718 ± 0.0011 Å |
| c | 15.547 ± 0.004 Å |
| α | 93.997 ± 0.014° |
| β | 115.68 ± 0.02° |
| γ | 101.219 ± 0.017° |
| Cell volume | 1052.6 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0404 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0605 |
| Weighted residual factors for all reflections included in the refinement | 0.0605 |
| Goodness-of-fit parameter for significantly intense reflections | 1.71 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.71 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181926 (current) | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/02. |
4025986.cif 4025986.hkl |
| 180708 | 2016-04-02 | hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4025986.cif 4025986.hkl |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4025986.cif 4025986.hkl |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4025986.cif 4025986.hkl |
| 37395 | 2012-03-02 | ../uploads/cif-deposit/cod/cif ../uploads/cif-deposit/cod/hkl Adding structures of 4025986 via cif-deposit CGI script. |
4025986.cif 4025986.hkl |
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Users of the data should acknowledge the original authors of the
structural data.