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Information card for entry 1507634
Preview
| Coordinates | 1507634.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C29 H27 O3 P |
|---|---|
| Calculated formula | C29 H27 O3 P |
| SMILES | P(c1c2c3c(O[C@H]([C@@H](Oc2ccc1)C)C)cccc3OC)(c1ccccc1)c1ccccc1 |
| Title of publication | Highly Efficient Synthesis of a Class of Novel Chiral-Bridged Atropisomeric Monophosphine Ligands via Simple Desymmetrization and Their Applications in Asymmetric Suzuki-Miyaura Coupling Reaction. |
| Authors of publication | Wang, Shouliang; Li, Jinjin; Miao, Tingting; Wu, Wenhao; Li, Qing; Zhuang, Yue; Zhou, Zhongyuan; Qiu, Liqin |
| Journal of publication | Organic letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 1966 - 1969 |
| a | 8.0559 ± 0.0003 Å |
| b | 14.2981 ± 0.0005 Å |
| c | 21.0979 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2430.14 ± 0.15 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0859 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.0992 |
| Weighted residual factors for all reflections included in the refinement | 0.1139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| 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. |
1507634.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. |
1507634.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507634.cif |
| 57591 | 2012-05-18 | cif/ Adding structures of 1507634 via cif-deposit CGI script. |
1507634.cif |
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Users of the data should acknowledge the original authors of the
structural data.