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Information card for entry 4115715
Preview
Coordinates | 4115715.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | N-acetyl-p-methoxy-L-phe methyl ester/Beta-CD |
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Formula | C110 H218 N2 O100 |
Calculated formula | C110 H98 N2 O100.55 |
Title of publication | Molecular Recognition in Cyclodextrin Complexes of Amino Acid Derivatives. 2.1 A New Perturbation: The Room-Temperature Crystallographic Structure Determination for the N-Acetyl-p-methoxy-l-phenylalanine Methyl Ester/β-Cyclodextrin Complex |
Authors of publication | Joanna L. Clark; Billy R. Booth; John J. Stezowski |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2001 |
Journal volume | 123 |
Pages of publication | 9889 - 9895 |
a | 18.31 ± 0.06 Å |
b | 15.51 ± 0.06 Å |
c | 15.31 ± 0.06 Å |
α | 102.78 ± 0.06° |
β | 112.66 ± 0.06° |
γ | 99.47 ± 0.06° |
Cell volume | 3759 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1053 |
Residual factor for significantly intense reflections | 0.0827 |
Weighted residual factors for significantly intense reflections | 0.2119 |
Weighted residual factors for all reflections included in the refinement | 0.2253 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4115715.html
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