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Information card for entry 7111703
Preview
Coordinates | 7111703.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | octaethyl |
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Formula | C36 H48 S4 |
Calculated formula | C36 H48 S4 |
SMILES | c12C(CC)(c3ccc(C(CC)(CC)c4sc(cc4)C(c4sc(C(c(cc1)s2)(CC)CC)cc4)(CC)CC)s3)CC |
Title of publication | A novel synthesis of calix[4]thiophenes and calix[4]furans |
Authors of publication | Lee, Gon-Ann; Wang, Wen-Chieh; Shieh, Minghuey; Kuo, Ting-Shen |
Journal of publication | Chemical Communications |
Year of publication | 2010 |
Journal volume | 46 |
Journal issue | 27 |
Pages of publication | 5009 - 5011 |
a | 22.0414 ± 0.0012 Å |
b | 14.6402 ± 0.0007 Å |
c | 11.7284 ± 0.0007 Å |
α | 90° |
β | 112.795 ± 0.003° |
γ | 90° |
Cell volume | 3489.1 ± 0.3 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0631 |
Residual factor for significantly intense reflections | 0.0407 |
Weighted residual factors for significantly intense reflections | 0.1093 |
Weighted residual factors for all reflections included in the refinement | 0.1366 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7111703.html
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