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Information card for entry 4026166
Preview
Coordinates | 4026166.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42.5 H48 F6 O8.5 S6 |
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Calculated formula | C42.5 H47.5 F6 O8.5 S6 |
Title of publication | Synthesis of Mono- and 1,3-Diaminocalix[4]arenes via Ullmann-Type Amination and Amidation of 1,3-Bistriflate Esters of Calix[4]arenes |
Authors of publication | Yuka Nakamura; Shinya Tanaka; Ryuichi Serizawa; Naoya Morohashi; Tetsutaro Hattori |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2011 |
Journal volume | 76 |
Pages of publication | 2168 - 2179 |
a | 20.749 ± 0.004 Å |
b | 20.042 ± 0.004 Å |
c | 11.915 ± 0.002 Å |
α | 90° |
β | 95.042 ± 0.002° |
γ | 90° |
Cell volume | 4935.7 ± 1.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0984 |
Residual factor for significantly intense reflections | 0.069 |
Weighted residual factors for significantly intense reflections | 0.1682 |
Weighted residual factors for all reflections included in the refinement | 0.1902 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4026166.html
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