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Information card for entry 4036806
Preview
Coordinates | 4036806.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H34 Fe2 P2 S6 |
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Calculated formula | C36 H34 Fe2 P2 S6 |
SMILES | C1SP([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]8[cH]7[cH]9[cH]23)(SCc2ccccc2CSP([c]23[cH]4[cH]5[cH]6[cH]2[Fe]27893456[cH]3[cH]9[cH]8[cH]7[cH]23)(SCc2ccccc12)=S)=S |
Title of publication | One-Pot Three-Component Condensation Synthesis and Structural Features of Organophosphorus-Sulfur Macrocycles. |
Authors of publication | Hua, Guoxiong; Du, Junyi; Cordes, David B.; Slawin, Alexandra M. Z.; Woollins, J. Derek |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 10 |
Pages of publication | 4210 - 4225 |
a | 7.515 ± 0.006 Å |
b | 22.102 ± 0.013 Å |
c | 10.965 ± 0.008 Å |
α | 90° |
β | 92.82 ± 0.02° |
γ | 90° |
Cell volume | 1819 ± 2 Å3 |
Cell temperature | 125 K |
Ambient diffraction temperature | 125 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for significantly intense reflections | 0.0934 |
Weighted residual factors for all reflections included in the refinement | 0.1715 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.239 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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