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Information card for entry 7157218
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7157218.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C57 H109 N11 O8 S |
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Calculated formula | C57 H108.999 N11 O8 S |
Title of publication | Chelate effects in sulfate binding by amide/urea-based ligands. |
Authors of publication | Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2015 |
Journal volume | 13 |
Journal issue | 25 |
Pages of publication | 6953 - 6957 |
a | 59.086 ± 0.002 Å |
b | 9.0002 ± 0.0004 Å |
c | 18.4644 ± 0.0006 Å |
α | 90.05 ± 0.002° |
β | 105.8 ± 0.002° |
γ | 89.986 ± 0.002° |
Cell volume | 9448.1 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | C 1 |
Hall space group symbol | C 1 |
Residual factor for all reflections | 0.0596 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.1353 |
Weighted residual factors for all reflections included in the refinement | 0.1418 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7157218.html
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Users of the data should acknowledge the original authors of the
structural data.