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Information card for entry 7105125
Preview
Coordinates | 7105125.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H18 O5 |
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Calculated formula | C17 H18 O5 |
SMILES | O(c1cccc2O[C@]3([C@]4(CC(=O)[C@H](CC4)C3)c12)C(=O)OC)C.O(c1cccc2O[C@@]3([C@@]4(CC(=O)[C@@H](CC4)C3)c12)C(=O)OC)C |
Title of publication | Synthesis of functionalized maoecrystal V core structures. |
Authors of publication | Nicolaou, K C; Dong, Lin; Deng, Lujiang; Talbot, Adam C; Chen, David Y-K |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2009 |
Journal volume | 46 |
Journal issue | 1 |
Pages of publication | 70 - 72 |
a | 7.9585 ± 0.0016 Å |
b | 17.241 ± 0.003 Å |
c | 20.159 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2766 ± 1 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 3 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0635 |
Residual factor for significantly intense reflections | 0.0576 |
Weighted residual factors for significantly intense reflections | 0.1336 |
Weighted residual factors for all reflections included in the refinement | 0.1384 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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