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Information card for entry 4029985
Preview
| Coordinates | 4029985.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H42 B N2 P |
|---|---|
| Calculated formula | C25 H42 B N2 P |
| SMILES | [P](C(=N\c1ccccc1)\NC1CCCCC1)(C1CCCCC1)(C1CCCCC1)[BH3] |
| Title of publication | Synthesis of phosphaguanidines by hydrophosphination of carbodiimides with phosphine boranes. |
| Authors of publication | Busacca, Carl A.; Milligan, John A.; Rattanangkool, Eakkaphon; Ramavarapu, Cyrus; Chen, Anji; Saha, Anjan K.; Li, Zhibin; Lee, Heewon; Geib, Steven J.; Wang, Guijun; Senanayake, Chris H.; Wipf, Peter |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2014 |
| Journal volume | 79 |
| Journal issue | 20 |
| Pages of publication | 9878 - 9887 |
| a | 13.7887 ± 0.0008 Å |
| b | 11.9484 ± 0.0006 Å |
| c | 15.2068 ± 0.0008 Å |
| α | 90° |
| β | 97.149 ± 0.002° |
| γ | 90° |
| Cell volume | 2485.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0428 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.1473 |
| Weighted residual factors for all reflections included in the refinement | 0.1521 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.403 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178478 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/99. |
4029985.cif |
| 127136 | 2014-11-12 | cif/ Updating files of 4029984, 4029985, 4029986, 4029987 Original log message: Adding full bibliography for 4029984--4029987.cif. |
4029985.cif |
| 124489 | 2014-10-02 | cif/ Adding structures of 4029984, 4029985, 4029986, 4029987 via cif-deposit CGI script. |
4029985.cif |
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Users of the data should acknowledge the original authors of the
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