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Information card for entry 4340605
Preview
| Coordinates | 4340605.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H34 P2 S2 |
|---|---|
| Calculated formula | C27 H34 P2 S2 |
| SMILES | S=P(c1ccc2c3c(ccc(P(=S)(C(C)C)c4ccccc4)c13)CC2)(C(C)C)C(C)C |
| Title of publication | Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes. |
| Authors of publication | Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 16 |
| Pages of publication | 8795 - 8808 |
| a | 8.5216 ± 0.0016 Å |
| b | 9.8317 ± 0.0018 Å |
| c | 16.798 ± 0.004 Å |
| α | 96.603 ± 0.007° |
| β | 93.163 ± 0.007° |
| γ | 113.597 ± 0.008° |
| Cell volume | 1273.2 ± 0.5 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for all reflections included in the refinement | 0.1013 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4340605.cif |
| 179509 | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/06. |
4340605.cif |
| 122902 | 2014-09-06 | cif/ Updating files of 4340598, 4340599, 4340600, 4340601, 4340602, 4340603, 4340604, 4340605, 4340606, 4340607 Original log message: Adding full bibliography for 4340598--4340607.cif. |
4340605.cif |
| 121011 | 2014-08-01 | cif/ Adding structures of 4340598, 4340599, 4340600, 4340601, 4340602, 4340603, 4340604, 4340605, 4340606, 4340607 via cif-deposit CGI script. |
4340605.cif |
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Users of the data should acknowledge the original authors of the
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