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Information card for entry 7206278
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Coordinates | 7206278.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C37 H50 N2 O10 |
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Calculated formula | C37 H50 N2 O10 |
Title of publication | Dimeric self-association of an isophthalamide macrocycle in solution and the solid state |
Authors of publication | Serpell, Christopher J.; Thomas, Owen; Odell, Barbara; Claridge, Timothy D. W.; Chall, Ricky; Thompson, Amber L.; Beer, Paul D. |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 14 |
Pages of publication | 4586 |
a | 8.864 ± 0.013 Å |
b | 9.554 ± 0.014 Å |
c | 21.89 ± 0.04 Å |
α | 82.63 ± 0.04° |
β | 82.94 ± 0.05° |
γ | 74.7 ± 0.05° |
Cell volume | 1766 ± 5 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1223 |
Residual factor for significantly intense reflections | 0.107 |
Weighted residual factors for all reflections | 0.301 |
Weighted residual factors for significantly intense reflections | 0.2861 |
Weighted residual factors for all reflections included in the refinement | 0.301 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0092 |
Diffraction radiation wavelength | 0.6889 Å |
Diffraction radiation type | Synchrotron |
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/7206278.html
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structural data.