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Information card for entry 7103850
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Coordinates | 7103850.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | bis(beta-cyclodextrin) bis(4-hydroxybenzoic acid methyl ester) clathrate hydrate (monoclinic form) |
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Chemical name | bis(beta-cyclodextrin) bis(4-hydroxybenzoic acid methyl ester) clathrate hydrate (monoclinic form) |
Formula | C50 H92.4 O45.2 |
Calculated formula | C50 H74 O44.779 |
Title of publication | Crystallization of two forms of a cyclodextrin inclusion complex containing a common organic guest |
Authors of publication | Caira, Mino R; de Vries, Elise J C; Nassimbeni, Luigi R |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2003 |
Journal issue | 16 |
Pages of publication | 2058 - 2059 |
a | 18.8632 ± 0.0004 Å |
b | 24.4542 ± 0.0005 Å |
c | 15.5942 ± 0.0005 Å |
α | 90° |
β | 110.668 ± 0.001° |
γ | 90° |
Cell volume | 6730.4 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 3 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.129 |
Residual factor for significantly intense reflections | 0.1002 |
Weighted residual factors for significantly intense reflections | 0.2532 |
Weighted residual factors for all reflections included in the refinement | 0.2854 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Duplicate of | 7113579 |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7103850.html
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