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Information card for entry 1513210
Preview
Coordinates | 1513210.cif |
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Original paper (by DOI) | HTML |
Formula | C72 H114 N0 O73 |
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Calculated formula | C72 H114 O73 |
Title of publication | Macromolecular ensembles of cyclodextrin crystallohydrates and clathrates ‒ experimental and theoretical gas ‒ and condense phase study |
Authors of publication | Ivanova, Bojidarka; Spiteller, Michael |
Journal of publication | International Journal of Biological Macromolecules |
Year of publication | 2014 |
Journal volume | 64 |
Pages of publication | 383 - 391 |
a | 9.4126 ± 0.0014 Å |
b | 14.233 ± 0.002 Å |
c | 37.401 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5010.6 ± 1.2 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0898 |
Residual factor for significantly intense reflections | 0.0646 |
Weighted residual factors for significantly intense reflections | 0.1564 |
Weighted residual factors for all reflections included in the refinement | 0.1695 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
202445 (current) | 2017-10-31 | cif/1/51/32/ Updating bibliography in entries 1513210, 1513211, 1513212. |
1513210.cif |
176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1513210.cif |
91962 | 2014-01-02 | cif/1/51/32/ Fixing bibliographies for CIFs 1513210, 1513211 and 1513212: moving author contacts from '_chemical_name_systematic' field to appropriate tags. Moving DOIs to appropriate tag. |
1513210.cif |
91958 | 2014-01-01 | cif/ Adding structures of 1513210 via cif-deposit CGI script. |
1513210.cif |
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Users of the data should acknowledge the original authors of the
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