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Information card for entry 1558919
Preview
Coordinates | 1558919.cif |
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Original paper (by DOI) | HTML |
Common name | 7,9,10,12-tetrahydrodithieno[3,2-f:2',3'-h][1,4]dioxecine |
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Formula | C12 H12 O2 S2 |
Calculated formula | C12 O2 S2 |
SMILES | C1OCc2c(scc2)c2c(COC1)ccs2 |
Title of publication | Synthesis of Novel Crown Ethers Derived from 3,3'-Dimethyl-2,2'-Bithienylene and Preparation of alpha,omega-Bis(3-methylenethienyl) Ethers |
Authors of publication | Zimmer, Hans; Amer, Adel; Shabana, R.; Ho, Douglas; Mark, Jr., Harry B.; Sudsuansri, Kobkul; Striley, Cindy |
Journal of publication | Acta Chemica Scandinavica |
Year of publication | 1993 |
Journal volume | 47 |
Pages of publication | 184 - 190 |
a | 6.927 ± 0.0005 Å |
b | 6.927 ± 0.0005 Å |
c | 25.0785 ± 0.0036 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1203.3 ± 0.2 Å3 |
Ambient diffraction temperature | 294 K |
Number of distinct elements | 4 |
Space group number | 92 |
Hermann-Mauguin space group symbol | P 41 21 2 |
Hall space group symbol | P 4abw 2nw |
Residual factor for significantly intense reflections | 0.0246 |
Weighted residual factors for significantly intense reflections | 0.0291 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.17 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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255687 (current) | 2020-08-27 | cif/ Adding structures of 1558919 via cif-deposit CGI script. |
1558919.cif |
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