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Information card for entry 1507473
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| Coordinates | 1507473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | 1,2-diphenyl-2,3-epoxypropan-1-ol |
|---|---|
| Formula | C15 H14 O2 |
| Calculated formula | C15 H13 O2 |
| SMILES | O1[C@]([C@H](O)c2ccccc2)(c2ccccc2)C1 |
| Title of publication | Oxiranyl Anion-Mediated Synthesis of Highly Enantiomerically Enriched Styrene Oxide Derivatives |
| Authors of publication | Capriati, Vito; Florio, Saverio; Luisi, Renzo; Salomone, Antonio |
| Journal of publication | Organic Letters |
| Year of publication | 2002 |
| Journal volume | 4 |
| Journal issue | 14 |
| Pages of publication | 2445 |
| a | 8.609 ± 0.0003 Å |
| b | 5.81 ± 0.0002 Å |
| c | 12.628 ± 0.0005 Å |
| α | 90 ± 0.01° |
| β | 105.779 ± 0.002° |
| γ | 90 ± 0.01° |
| Cell volume | 607.83 ± 0.04 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0723 |
| Residual factor for significantly intense reflections | 0.0662 |
| Weighted residual factors for significantly intense reflections | 0.1602 |
| Weighted residual factors for all reflections included in the refinement | 0.1727 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.235 |
| 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. |
1507473.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. |
1507473.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507473.cif |
| 53994 | 2012-04-20 | cif/ Adding structures of 1507473 via cif-deposit CGI script. |
1507473.cif |
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Users of the data should acknowledge the original authors of the
structural data.