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Information card for entry 2240225
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| Coordinates | 2240225.cif |
|---|---|
| Structure factors | 2240225.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | bis{2-[Diphenyl(selanylidene)phosphanyl]phenyl} ether |
|---|---|
| Chemical name | (2-{2-[Diphenyl(selanylidene)phosphanyl]phenoxy}phenyl)diphenyl-λ^5^-phosphaneselone |
| Formula | C36 H28 O P2 Se2 |
| Calculated formula | C36 H28 O P2 Se2 |
| SMILES | O(c1c(P(=[Se])(c2ccccc2)c2ccccc2)cccc1)c1c(P(c2ccccc2)(c2ccccc2)=[Se])cccc1 |
| Title of publication | Crystal structures of bis[2-(diphenylphosphinothioyl)phenyl] ether and bis{2-[diphenyl(selanylidene)phosphanyl]phenyl} ether |
| Authors of publication | Janzen, Daron E.; Kooyman, Arianna M.; Lange, Kayla A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | 536 - 540 |
| a | 14.0964 ± 0.0015 Å |
| b | 13.0854 ± 0.0013 Å |
| c | 17.5918 ± 0.0018 Å |
| α | 90° |
| β | 109.226 ± 0.008° |
| γ | 90° |
| Cell volume | 3064 ± 0.6 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0424 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.0624 |
| Weighted residual factors for all reflections included in the refinement | 0.0659 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301807 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/24 Each referenced PubChem compound corresponds to the full crystal structure. |
2240225.cif 2240225.hkl |
| 181902 | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/02 |
2240225.cif 2240225.hkl |
| 181322 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/02. |
2240225.cif 2240225.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240225.cif 2240225.hkl |
| 127500 | 2014-11-19 | cif/ hkl/ Adding structures of 2240224, 2240225 via cif-deposit CGI script. |
2240225.cif 2240225.hkl |
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Users of the data should acknowledge the original authors of the
structural data.