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Information card for entry 4023061
Preview
Coordinates | 4023061.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Paquette 1456 |
---|---|
Formula | C24 H38 O6 |
Calculated formula | C24 H38 O6 |
SMILES | O1[C@H](CCC1)[C@@]1(OCCC1)[C@@]1(OCCC1)[C@@]1(OCCC1)[C@@]1(OCCC1)[C@H]1OCCC1.O1[C@@H](CCC1)[C@]1(OCCC1)[C@]1(OCCC1)[C@]1(OCCC1)[C@]1(OCCC1)[C@@H]1OCCC1 |
Title of publication | X-ray Crystallographic and Mass Spectrometric Probing of the Conformational and Ionophoric Properties of Stereoisomeric Hexatetrahydrofuranylhexane Segments |
Authors of publication | David G. Hilmey; Barry D. Davis; Judith C. Gallucci; Jennifer S. Brodbelt; Leo A. Paquette |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2007 |
Journal volume | 72 |
Pages of publication | 9088 - 9101 |
a | 9.6812 ± 0.001 Å |
b | 14.3823 ± 0.001 Å |
c | 15.626 ± 0.002 Å |
α | 90° |
β | 97.944 ± 0.004° |
γ | 90° |
Cell volume | 2154.9 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0618 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.1081 |
Weighted residual factors for all reflections included in the refinement | 0.1161 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4023061.html
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