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Information card for entry 4324277
Preview
| Coordinates | 4324277.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C19 H21 N2 P S |
|---|---|
| Calculated formula | C19 H21 N2 P S |
| SMILES | S=P(c1n(ccn1)C(C)(C)C)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis, Structure, and Reactions of 1-tert-Butyl-2-diphenylphosphino-imidazole |
| Authors of publication | Susanne Sauerbrey; Paresh Kumar Majhi; Jörg Daniels; Gregor Schnakenburg; Gerhard Markus Brändle; Katharina Scherer; Rainer Streubel |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 793 - 799 |
| a | 8.6397 ± 0.0003 Å |
| b | 9.3631 ± 0.0003 Å |
| c | 11.7671 ± 0.0003 Å |
| α | 87.327 ± 0.002° |
| β | 73.242 ± 0.002° |
| γ | 73.673 ± 0.002° |
| Cell volume | 874.1 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0421 |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0806 |
| Weighted residual factors for all reflections included in the refinement | 0.0848 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4324277.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4324277.cif |
| 179345 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/42. |
4324277.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324277.cif |
| 40982 | 2012-03-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4324277 via cif-deposit CGI script. |
4324277.cif |
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Users of the data should acknowledge the original authors of the
structural data.