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Information card for entry 7105126
Preview
Coordinates | 7105126.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H18 O4 |
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Calculated formula | C16 H18 O4 |
SMILES | O1[C@H]2CCCC(=O)[C@]32[C@@]24CC[C@H](C[C@@]14C(=O)C3)C(=O)C2.O1[C@@H]2CCCC(=O)[C@@]32[C@]24CC[C@@H](C[C@]14C(=O)C3)C(=O)C2 |
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 | 6.7342 ± 0.0013 Å |
b | 8.6721 ± 0.0017 Å |
c | 11.458 ± 0.002 Å |
α | 102.25 ± 0.03° |
β | 98.41 ± 0.03° |
γ | 104.21 ± 0.03° |
Cell volume | 619.8 ± 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 | 0.0388 |
Residual factor for significantly intense reflections | 0.0378 |
Weighted residual factors for significantly intense reflections | 0.096 |
Weighted residual factors for all reflections included in the refinement | 0.0997 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
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/7105126.html
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