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Information card for entry 4083660
Preview
| Coordinates | 4083660.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H21 B F10 N P |
|---|---|
| Calculated formula | C21 H21 B F10 N P |
| SMILES | P1(=[NH][B](C1)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)(C(C)(C)C)C(C)(C)C |
| Title of publication | Main Group Heterocycles from Lithiated Phosphinimines |
| Authors of publication | Alhomaidan, Osamah; Hollink, Emily; Stephan, Douglas W. |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 12 |
| Pages of publication | 3041 |
| a | 9.4554 ± 0.0018 Å |
| b | 24.569 ± 0.005 Å |
| c | 20.408 ± 0.004 Å |
| α | 90° |
| β | 99.463 ± 0.002° |
| γ | 90° |
| Cell volume | 4676.5 ± 1.6 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1851 |
| Residual factor for significantly intense reflections | 0.0794 |
| Weighted residual factors for significantly intense reflections | 0.1857 |
| Weighted residual factors for all reflections included in the refinement | 0.2709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301831 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure. |
4083660.cif |
| 178725 | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/36. |
4083660.cif |
| 132589 | 2015-03-02 | cif/ (antanas@koala.ibt.lt) Multiple CIFs contained incorrect '_refined_diff_density_rms' tag values, consisting of the actual numerical values and a trailing substrings that were accidentaly concatinated to the end of the values. The values were malformed upon deposition due to incorrect comment markup (comments were not prefixed with a '#' symbol). The folllowing command was carried to remove the trailing substrings: find . -name *.cif | xargs perl -0777 -i -pe "s/_refine_diff_density_rms\s*\'(\d*\.\d*)\s.*/_refine_diff_density_rms \1/" After the modifications 'cif_filter' script was used on all affected CIFs and changed values were inspected manually to avoid introduction of new errors (the trailling string might not be an artifact, but a misplaced e.s.d. value or a measurement unit symbol that implies the need of numerical value conversion). |
4083660.cif |
| 117703 | 2014-06-15 | cif/ Adding structures of 4083654, 4083655, 4083656, 4083657, 4083658, 4083659, 4083660 via cif-deposit CGI script. |
4083660.cif |
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Users of the data should acknowledge the original authors of the
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