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Information card for entry 1551333
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Coordinates | 1551333.cif |
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Original paper (by DOI) | HTML |
Formula | C108 H252 N24 O45 |
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Calculated formula | C108 H162 N24 O45 |
Title of publication | Trapping virtual pores by crystal retro-engineering |
Authors of publication | Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper |
Journal of publication | Nature Chemistry |
Year of publication | 2015 |
Journal volume | 7 |
Pages of publication | 153 - 159 |
a | 15.8532 ± 0.0007 Å |
b | 15.8532 ± 0.0007 Å |
c | 33.088 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 7201.7 ± 0.6 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 4 |
Space group number | 158 |
Hermann-Mauguin space group symbol | P 3 c 1 |
Hall space group symbol | P 3 -2"c |
Residual factor for all reflections | 0.1342 |
Residual factor for significantly intense reflections | 0.1156 |
Weighted residual factors for significantly intense reflections | 0.3141 |
Weighted residual factors for all reflections included in the refinement | 0.3388 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.426 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
288467 (current) | 2023-12-21 | Changed data name '_shel_hkl_file' to '_shelx_hkl_file' in entry 1551333. |
1551333.cif |
215830 | 2019-06-11 | cif/ Adding structures of 1551333 via cif-deposit CGI script. |
1551333.cif |
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Users of the data should acknowledge the original authors of the
structural data.