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Information card for entry 2017077
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Coordinates | 2017077.cif |
---|---|
Original IUCr paper | HTML |
Formula | C36 H58 O6 |
---|---|
Calculated formula | C36 H58 O6 |
SMILES | CC(CCC[C@H]([C@H]1CC[C@@]2([C@]1(C)C[C@H](OC(=O)C)[C@@]1([C@H]2[C@H](OC(=O)C)CC2=C1CC[C@@H](C2(C)C)OC(=O)C)C)C)C)C |
Title of publication | Two isomeric cucurbitane derivatives |
Authors of publication | Kubicki, Maciej; Koenig, Hanna; Paryzek, Zdzisław |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 5 |
Pages of publication | o253 - o256 |
a | 14.48 ± 0.0012 Å |
b | 19.8818 ± 0.0013 Å |
c | 26.882 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7739 ± 1 Å3 |
Cell temperature | 295 ± 2 K |
Ambient diffraction temperature | 100 ± 1 K |
Number of distinct elements | 3 |
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 | 0.1851 |
Residual factor for significantly intense reflections | 0.0953 |
Weighted residual factors for significantly intense reflections | 0.247 |
Weighted residual factors for all reflections included in the refinement | 0.2757 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
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/2017077.html
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Users of the data should acknowledge the original authors of the
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