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Information card for entry 1506009
Preview
Coordinates | 1506009.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H46 N10 O6 |
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Calculated formula | C28 H46 N10 O6 |
SMILES | O=C1NCCNCCNCCNC(=O)c2nc(C(=O)NCCNCCNCCNC(=O)c3nc1ccc3)ccc2.OC.OC |
Title of publication | Anion binding to monotopic and ditopic macrocyclic amides. |
Authors of publication | Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 15 |
Pages of publication | 3171 - 3174 |
a | 9.1721 ± 0.0007 Å |
b | 9.4004 ± 0.0007 Å |
c | 10.7902 ± 0.0008 Å |
α | 102.07 ± 0.001° |
β | 115.017 ± 0.001° |
γ | 92.109 ± 0.001° |
Cell volume | 816.15 ± 0.11 Å3 |
Cell temperature | 303 ± 2 K |
Ambient diffraction temperature | 303 ± 2 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 | 0.059 |
Residual factor for significantly intense reflections | 0.0489 |
Weighted residual factors for significantly intense reflections | 0.1322 |
Weighted residual factors for all reflections included in the refinement | 0.1443 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/1506009.html
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