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Information card for entry 4030228
Preview
Coordinates | 4030228.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H22 N2 O4 |
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Calculated formula | C20 H22 N2 O4 |
Title of publication | Computational and synthetic studies with tetravinylethylenes. |
Authors of publication | Lindeboom, Erik J.; Willis, Anthony C.; Paddon-Row, Michael N; Sherburn, Michael S. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2014 |
Journal volume | 79 |
Journal issue | 23 |
Pages of publication | 11496 - 11507 |
a | 7.4676 ± 0.0002 Å |
b | 6.9456 ± 0.0001 Å |
c | 17.1815 ± 0.0004 Å |
α | 90° |
β | 102.013 ± 0.0011° |
γ | 90° |
Cell volume | 871.64 ± 0.03 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0324 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for all reflections | 0.0816 |
Weighted residual factors for significantly intense reflections | 0.0802 |
Weighted residual factors for all reflections included in the refinement | 0.0816 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0033 |
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/4030228.html
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Users of the data should acknowledge the original authors of the
structural data.