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Information card for entry 7221832
Preview
Coordinates | 7221832.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (1r,2R,6S,8r,10R,14S)-5,7,9,11- tetraoxatetracyclo[6.6.0.0^2,6^.0^10,14^]tetradecane |
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Formula | C10 H14 O4 |
Calculated formula | C10 H14 O4 |
SMILES | O1CC[C@@H]2C3[C@@H]4CCO[C@@H]4OC3O[C@H]12 |
Title of publication | The distinctively singular self-assembly of a “molecular stair”: observation of a quadrilateral C‒H⋯O hydrogen bonding cycle in the crystal structure of a tetracyclic oligo-tetrahydrofuran |
Authors of publication | Rashid, Showkat; Bhat, Bilal A.; Sen, Saikat; Mehta, Goverdhan |
Journal of publication | RSC Adv. |
Year of publication | 2015 |
Journal volume | 5 |
Journal issue | 87 |
Pages of publication | 70899 |
a | 10.42 ± 0.005 Å |
b | 5.899 ± 0.003 Å |
c | 15.377 ± 0.008 Å |
α | 90° |
β | 94.096 ± 0.007° |
γ | 90° |
Cell volume | 942.8 ± 0.8 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 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 | 0.0858 |
Residual factor for significantly intense reflections | 0.0778 |
Weighted residual factors for significantly intense reflections | 0.1887 |
Weighted residual factors for all reflections included in the refinement | 0.1933 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.283 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKa |
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/7221832.html
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