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Information card for entry 1506324
Preview
| Coordinates | 1506324.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Rh(dtbpb)(nbd)]PF6 |
|---|---|
| Chemical name | [Bis(di-tert-butylphosphino-κ2,P,P)benzene](norbornadiene)rhodium(I) PF6 |
| Formula | C33 H56 F6 O P3 Rh |
| Calculated formula | C33 H56 F6 O P3 Rh |
| SMILES | [Rh]1234([P](C(C)(C)C)(c5c([P]1(C(C)(C)C)C(C)(C)C)cccc5)C(C)(C)C)[CH]1=[CH]3C3[CH]4=[CH]2C1C3.[P](F)(F)(F)(F)(F)[F-].C1CCOC1 |
| Title of publication | Facile synthesis of highly congested 1,2-diphosphinobenzenes from bis(phosphine)boronium salts. |
| Authors of publication | Yamamoto, Yoshikazu; Koizumi, Toru; Katagiri, Kosuke; Furuya, Yui; Danjo, Hiroshi; Imamoto, Tsuneo; Yamaguchi, Kentaro |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 26 |
| Pages of publication | 6103 - 6106 |
| a | 11.1077 ± 0.0006 Å |
| b | 11.1077 ± 0.0006 Å |
| c | 24.942 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2665.1 ± 0.4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 145 |
| Hermann-Mauguin space group symbol | P 32 |
| Hall space group symbol | P 32 |
| Residual factor for all reflections | 0.0588 |
| Residual factor for significantly intense reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.1129 |
| Weighted residual factors for all reflections included in the refinement | 0.12 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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 |
|---|---|---|---|
| 176729 (current) | 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. |
1506324.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506324.cif |
| 48192 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1506324 via cif-deposit CGI script. |
1506324.cif |
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Users of the data should acknowledge the original authors of the
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