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Information card for entry 7026709
Preview
| Coordinates | 7026709.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | tert-Butyl-(1,3-di-tert-butyl-4-(2-diphenylphosphanyl phenoxy)-(1,3,2,4)diazaphosphetidin-2-yl)amine |
|---|---|
| Chemical name | tert-Butyl-[1,3-di-tert-butyl-4-(2-diphenylphosphanyl phenoxy)-[1,3,2,4]diazaphosphetidin-2-yl)amine |
| Formula | C30 H42 N3 O P3 |
| Calculated formula | C30 H42 N3 O P3 |
| SMILES | P1(NC(C)(C)C)N(P(Oc2ccccc2P(c2ccccc2)c2ccccc2)N1C(C)(C)C)C(C)(C)C |
| Title of publication | Transition metal chemistry of cyclodiphosphanes containing phosphine and amide-phosphine functionalities: formation of a stable dipalladium(II) complex containing a Pd-P σ-bond. |
| Authors of publication | Balakrishna, Maravanji S.; Venkateswaran, Ramalingam; Mague, Joel T. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 46 |
| Pages of publication | 11149 - 11162 |
| a | 9.0386 ± 0.0004 Å |
| b | 11.3565 ± 0.0004 Å |
| c | 16.038 ± 0.0006 Å |
| α | 74.097 ± 0.001° |
| β | 87.839 ± 0.001° |
| γ | 85.701 ± 0.001° |
| Cell volume | 1578.54 ± 0.11 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0511 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.1005 |
| Weighted residual factors for all reflections included in the refinement | 0.1093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7026709.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7026709.cif |
| 93570 | 2014-01-13 | cif/ Adding structures of 7026708, 7026709, 7026710, 7026711, 7026712, 7026713, 7026714, 7026715 via cif-deposit CGI script. |
7026709.cif |
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