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Information card for entry 4029640
Preview
Coordinates | 4029640.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H16 O4 |
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Calculated formula | C24 H16 O4 |
SMILES | C1#Cc2c(COC(=O)c3c(C(=O)OCc4c1cccc4)cccc3)cccc2 |
Title of publication | Bridged tolanes: a twisted tale. |
Authors of publication | Menning, Sebastian; Krämer, Maximilian; Duckworth, Andrew; Rominger, Frank; Beeby, Andrew; Dreuw, Andreas; Bunz, Uwe H. F. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 14 |
Pages of publication | 6571 - 6578 |
a | 11.919 ± 0.003 Å |
b | 12.417 ± 0.003 Å |
c | 14.246 ± 0.004 Å |
α | 65.888 ± 0.005° |
β | 68.574 ± 0.005° |
γ | 80.752 ± 0.005° |
Cell volume | 1791.3 ± 0.8 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 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 | 0.1056 |
Residual factor for significantly intense reflections | 0.0893 |
Weighted residual factors for significantly intense reflections | 0.2455 |
Weighted residual factors for all reflections included in the refinement | 0.2626 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
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/4029640.html
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Users of the data should acknowledge the original authors of the
structural data.