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Information card for entry 1550765
Preview
Coordinates | 1550765.cif |
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Original paper (by DOI) | HTML |
Formula | C185.98 H227.44 Cl2.92 N32 O33 |
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Calculated formula | C185.98 H227.44 Cl2.94 N32 O33 |
Title of publication | Peptide-based capsules with chirality-controlled functionalized interiors ‒ rational design and amplification from dynamic combinatorial libraries |
Authors of publication | Jędrzejewska, Hanna; Szumna, Agnieszka |
Journal of publication | Chemical Science |
Year of publication | 2019 |
a | 22.497 ± 0.005 Å |
b | 31.279 ± 0.006 Å |
c | 36.562 ± 0.007 Å |
α | 67.29 ± 0.03° |
β | 79.62 ± 0.03° |
γ | 88 ± 0.03° |
Cell volume | 23328 ± 10 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173.15 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 | 0.0977 |
Residual factor for significantly intense reflections | 0.0731 |
Weighted residual factors for significantly intense reflections | 0.2199 |
Weighted residual factors for all reflections included in the refinement | 0.2339 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
Diffraction radiation wavelength | 0.6888 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
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214233 (current) | 2019-03-21 | cif/ Adding structures of 1550765, 1550766 via cif-deposit CGI script. |
1550765.cif |
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Users of the data should acknowledge the original authors of the
structural data.