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Information card for entry 7105122
Preview
Coordinates | 7105122.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H18 O5 |
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Calculated formula | C17 H18 O5 |
SMILES | O(c1c2[C@]34CC(=O)[C@@H](C[C@@]4(Oc2ccc1)C(=O)OC)CC3)C.O(c1c2[C@@]34CC(=O)[C@H](C[C@]4(Oc2ccc1)C(=O)OC)CC3)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 | 6.9635 ± 0.0014 Å |
b | 8.8693 ± 0.0018 Å |
c | 12.59 ± 0.003 Å |
α | 98.55 ± 0.03° |
β | 101.29 ± 0.03° |
γ | 105.65 ± 0.03° |
Cell volume | 717.3 ± 0.2 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0943 |
Residual factor for significantly intense reflections | 0.0758 |
Weighted residual factors for significantly intense reflections | 0.184 |
Weighted residual factors for all reflections included in the refinement | 0.202 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.162 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7105122.html
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