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Information card for entry 4026167
Preview
Coordinates | 4026167.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H54 F3 N O5 S5 |
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Calculated formula | C48 H54 F3 N O5 S5 |
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 | 10.3827 ± 0.0017 Å |
b | 13.578 ± 0.002 Å |
c | 18.34 ± 0.003 Å |
α | 86.422 ± 0.002° |
β | 87.024 ± 0.002° |
γ | 74.012 ± 0.002° |
Cell volume | 2479 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0877 |
Residual factor for significantly intense reflections | 0.0601 |
Weighted residual factors for significantly intense reflections | 0.1452 |
Weighted residual factors for all reflections included in the refinement | 0.1685 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
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/4026167.html
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Users of the data should acknowledge the original authors of the
structural data.