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Information card for entry 1506272
Preview
| Coordinates | 1506272.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C30 H37 O3 P |
|---|---|
| Calculated formula | C30 H37 O3 P |
| SMILES | P(=O)(c1ccc2ccccc2c1c1c2ccccc2ccc1O)(C(C)(C)C)C(C)(C)C.OCC |
| Title of publication | Intramolecular arene epoxidation by phosphadioxiranes. |
| Authors of publication | Zhang, Dong; Gao, Ruomei; Afzal, Shabana; Vargas, Mario; Sharma, Shantanu; McCurdy, Alison; Yousufuddin, Muhammed; Stewart, Timothy; Bau, Robert; Selke, Matthias |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 22 |
| Pages of publication | 5125 - 5128 |
| a | 10.675 ± 0.002 Å |
| b | 11.455 ± 0.003 Å |
| c | 12.152 ± 0.003 Å |
| α | 94.968 ± 0.004° |
| β | 95.671 ± 0.004° |
| γ | 117.303 ± 0.004° |
| Cell volume | 1299.3 ± 0.5 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 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 | 0.0937 |
| Residual factor for significantly intense reflections | 0.0645 |
| Weighted residual factors for significantly intense reflections | 0.1579 |
| Weighted residual factors for all reflections included in the refinement | 0.1661 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506272.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. |
1506272.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506272.cif |
| 48140 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506272 via cif-deposit CGI script. |
1506272.cif |
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Users of the data should acknowledge the original authors of the
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