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Information card for entry 7005838
Preview
Coordinates | 7005838.cif |
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Original paper (by DOI) | HTML |
Formula | C64 H76 Cl6 N2 O14 |
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Calculated formula | C64 H76 Cl6 N2 O14 |
SMILES | C1(=O)c2c3c(C(=O)N1CCCCCC)ccc1C(=O)N(C(=O)c(cc2)c31)CCCCCC.O1c2cccc3c(cccc23)OCCOCCOCCOCCOc2cccc3c(OCCOCCOCCOCC1)cccc23.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
Title of publication | Structures and solution dynamics of pseudorotaxanes mediated by alkali-metal cations. |
Authors of publication | Pascu, Sofia I.; Naumann, Christoph; Kaiser, Guido; Bond, Andrew D.; Sanders, Jeremy K. M.; Jarrosson, Thibaut |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 35 |
Pages of publication | 3874 - 3884 |
a | 10.9237 ± 0.0003 Å |
b | 12.3078 ± 0.0003 Å |
c | 13.8877 ± 0.0004 Å |
α | 67.987 ± 0.001° |
β | 86.014 ± 0.001° |
γ | 69.563 ± 0.002° |
Cell volume | 1618.03 ± 0.08 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1039 |
Residual factor for significantly intense reflections | 0.0593 |
Weighted residual factors for significantly intense reflections | 0.1167 |
Weighted residual factors for all reflections included in the refinement | 0.1384 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/7005838.html
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