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Information card for entry 1517944
Preview
| Coordinates | 1517944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H18 N O2 P |
|---|---|
| Calculated formula | C21 H18 N O2 P |
| SMILES | P12Oc3c(C(N2c2cc(cc(c2)C)C)c2c(O1)cccc2)cccc3 |
| Title of publication | Bicyclic Bridgehead Phosphoramidite (Briphos) Ligands with Tunable π-Acceptor Ability and Catalytic Activity in the Rhodium-Catalyzed Conjugate Additions. |
| Authors of publication | Lee, Ansoo; Ahn, Seihwan; Kang, Kyungjun; Seo, Min-Seob; Kim, Yeonjoon; Kim, Woo Youn; Kim, Hyunwoo |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 20 |
| Pages of publication | 5490 - 5493 |
| a | 10.895 ± 0.002 Å |
| b | 6.6814 ± 0.0015 Å |
| c | 23.895 ± 0.005 Å |
| α | 90° |
| β | 93.14 ± 0.006° |
| γ | 90° |
| Cell volume | 1736.8 ± 0.6 Å3 |
| Cell temperature | 147 ± 2 K |
| Ambient diffraction temperature | 147 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0659 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.0951 |
| Weighted residual factors for all reflections included in the refinement | 0.106 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1517944.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. |
1517944.cif |
| 127247 | 2014-11-12 | cif/ Updating files of 1517944, 1517945 Original log message: Adding full bibliography for 1517944--1517945.cif. |
1517944.cif |
| 125041 | 2014-10-07 | cif/ Adding structures of 1517944 via cif-deposit CGI script. |
1517944.cif |
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