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Information card for entry 7116265
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Coordinates | 7116265.cif |
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Original paper (by DOI) | HTML |
Common name | PgC1, bpy, MeCN |
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Chemical name | C-methylpyrogallol[4]arene, 4,4'-bipyridine, Acetonitrile |
Formula | C79 H64 N10 O12 |
Calculated formula | C79 H64 N10 O12 |
Title of publication | Engineering supramolecular organic frameworks (SOFs) of C-alkylpyrogallol[4]arene with bipyridine-based spacers. |
Authors of publication | Patil, Rahul S.; Kumari, Harshita; Barnes, Charles L.; Atwood, Jerry L. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2015 |
Journal volume | 51 |
Journal issue | 12 |
Pages of publication | 2304 - 2307 |
a | 21.6686 ± 0.0008 Å |
b | 21.6686 ± 0.0008 Å |
c | 15.3857 ± 0.0007 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7224 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 130 |
Hermann-Mauguin space group symbol | P 4/n c c :2 |
Hall space group symbol | -P 4a 2ac |
Residual factor for all reflections | 0.0785 |
Residual factor for significantly intense reflections | 0.0727 |
Weighted residual factors for significantly intense reflections | 0.218 |
Weighted residual factors for all reflections included in the refinement | 0.2274 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7116265.html
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